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| CAS No.: | 74-98-6 |
|---|---|
| Name: | Propane |
| Article Data: | 1353 |
| Molecular Structure: | |
|
|
|
| Formula: | C3H8 |
| Molecular Weight: | 44.0965 |
| Synonyms: | n-Propane;Dimethylmethane;HC 290;LPG;Liquefied petroleum gas;Propyl hydride;Purifrigor P 2;Purifrigor P 3;R 280; |
| EINECS: | 200-827-9 |
| Density: | 0.565 g/cm3 |
| Melting Point: | -188 °C(lit.) |
| Boiling Point: | -42.1 °C |
| Flash Point: | -104 °C |
| Appearance: | colourless odourless gas |
| Hazard Symbols: |
 F+
|
| Risk Codes: | 12 |
| Safety: | 9-16 |
| Transport Information: | UN 1978 2.1 |
| PSA: | 0.00000 |
| LogP: | 1.41630 |
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propene
- 74-98-6
propane
| Conditions | Yield |
|---|---|
| With para-hydrogen under 5414.51 Torr; Flow reactor; | 100% |
| With hydrogen; nickel at 40℃; Thermodynamic data; Ea, various catalysts; | |
| With hydrogen at 151.9 - 326.9℃; under 100 Torr; Kinetics; Ir(1.1.1)-surface; pc-C3H6 2.0 torr; kapp0, Eapp; |
| Conditions | Yield |
|---|---|
| With hydrogen; nickel at 329.9℃; nickel powder, prepared by evaporation-condensation; Yields of byproduct given; | A 98% B n/a C n/a D n/a E n/a |
| Conditions | Yield |
|---|---|
| With DIP-Co catalysts at 23℃; Reagent/catalyst; Inert atmosphere; Glovebox; | A n/a B 98% |
| Conditions | Yield |
|---|---|
| In benzene-d6 Kinetics; thermolysis at 167 +/- 1°C; | A <2 B 97% |
| In benzene Irradiation (UV/VIS); photolysis in a frozen benzene soln.; |
| Conditions | Yield |
|---|---|
| In neat (no solvent) 150°C, 60 h; further products; | A 91% B 5% C 95% |
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diisopropylmercury
A
- 74-98-6
propane
B
- 75-29-6
isopropyl chloride
C
- 67-66-3
chloroform
D
- 30615-19-1
isopropylmercury(II) chloride
| Conditions | Yield |
|---|---|
| In neat (no solvent) 20°C, 96 h; further products; | A 4% B 48% C 30% D 95% E 5% |
| Conditions | Yield |
|---|---|
| nickel at 100 - 120℃; for 1h; | A n/a B 90% |
| Conditions | Yield |
|---|---|
| nickel at 100 - 120℃; for 1h; | A n/a B 90% |
| Conditions | Yield |
|---|---|
| With triethylamine In water at 20℃; for 2h; Inert atmosphere; Irradiation; | 90% |
| Co(BF4)2(bipy)n Product distribution; Electrochemical reaction; |
| Conditions | Yield |
|---|---|
| In neat (no solvent) hydrolysis in water vapor (11.0E2 Nm**2); | A 0.24% B 6.77% C 0.14% D 2.54% E 89.5% |
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- Total:11 Page 1 of 1 1
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Consensus Reports
Reported in EPA TSCA Inventory.
Standards and Recommendations
OSHA PEL: TWA 1000 ppm
DFG MAK: 1000 ppm (1800 mg/m3)
DOT Classification: 2.1; Label: Flammable Gas
Specification
This product is an organic compound with the formula C3H8. The systematic name of this chemical is Propane. It belongs to the product categories of Refrigerants; Organics; Burners; Labware; Chemical Synthesis; Compressed and Liquefied Gases; Synthetic Reagents. Its EINECS number is 200-827-9. With the CAS registry number 74-98-6, it is also named as Dimethylmethane. In addition, the molecular weight is 44.11. Its classification codes are: (1)Aerosol propellant; (2)Aerosol propellants; (3)Agricultural Chemical; (4)Herbicide. It should be stored in the cylinder outfit which is placed in a cool place. Moreover, it should be protected from heat and fire. It is commonly used as a fuel for engines, oxy-gas torches, barbecues, portable stoves and residential central heating. It is also used as refrigerant. Besides, it is mainly used as raw material in the production of ethylene and propylene by cracking, as deasphalting reagent in refinery and as solvent in desulfurization.
Physical properties of Propane are: (1)ACD/LogP: 2.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.236; (4)ACD/LogD (pH 7.4): 2.236; (5)ACD/BCF (pH 5.5): 29.452; (6)ACD/BCF (pH 7.4): 29.452; (7)ACD/KOC (pH 5.5): 391.926; (8)ACD/KOC (pH 7.4): 391.926; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)Index of Refraction: 1.331; (12)Molar Refractivity: 15.947 cm3; (13)Molar Volume: 78.056 cm3; (14)Polarizability: 6.322×10-24cm3; (15)Surface Tension: 14.195 dyne/cm; (16)Density: 0.565 g/cm3; (17)Enthalpy of Vaporization: 19.04 kJ/mol; (18)Vapour Pressure: 7271.002 mmHg at 25°C.
Preparation: this chemical can be prepared by ethane at the temperature of 500 - 650 °C. This reaction will need reagent CO2. This reaction will also need catalyst Cr/SO4(2-)-SiO2. The yield is about 55.2%.
Uses of Propane: it can be used to produce 2-bromo-propane at the temperature of -20 °C. It will need reagent Br2, CBr4·2AlBr3 with the reaction time of 3 hours. The yield is about 96%.
When you are using this chemical, please be cautious about it as the following:
It is extremely flammable, so you should keep it away from sources of ignition - No smoking. You should keep the container in a well-ventilated place.
You can still convert the following datas into molecular structure:
(1)SMILES: CCC
(2)Std. InChI: InChI=1S/C3H8/c1-3-2/h3H2,1-2H3
(3)Std. InChIKey: ATUOYWHBWRKTHZ-UHFFFAOYSA-N