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| CAS No.: | 56525-42-9 |
|---|---|
| Name: | Methyl Propyl Carbonate |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C5H10O3 |
| Molecular Weight: | 118.133 |
| Synonyms: | Methyl Propyl Carbonate;56525-42-9;methylpropylcarbonate;SCHEMBL126591;Carbonic acid methyl propyl ester;DTXSID20624621;MFCD09751413;AKOS006327930;DS-19696;CS-0111112;D83836 |
| Density: | 0.977 g/cm3 |
| Boiling Point: | 113.855 °C at 760 mmHg |
| Flash Point: | 37.86 °C |
| PSA: | 35.53000 |
| LogP: | 1.17940 |
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- Total:19 Page 1 of 1 1
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Specification
The systematic name about this chemical is methyl propyl carbonate. The CAS register number of Methyl propyl carbonate is 56525-42-9. It also can be called as carbonic acid, methyl propyl ester.
Physical properties about Methyl propyl carbonate are: (1)ACD/LogP: 1.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 5; (6)ACD/BCF (pH 7.4): 5; (7)ACD/KOC (pH 5.5): 108; (8)ACD/KOC (pH 7.4): 108; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 35.53Å2; (13)Index of Refraction: 1.391; (14)Molar Refractivity: 28.733 cm3; (15)Molar Volume: 120.914 cm3; (16)Surface Tension: 26.943 dyne/cm; (17)Density: 0.977 g/cm3; (18)Flash Point: 37.86 °C; (19)Enthalpy of Vaporization: 35.233 kJ/mol; (20)Boiling Point: 113.855 °C at 760 mmHg; (21)Vapour Pressure: 20.425 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1.SMILES: O=C(OC)OCCC
2.InChI: InChI=1/C5H10O3/c1-3-4-8-5(6)7-2/h3-4H2,1-2H3
3.InChIKey: KKQAVHGECIBFRQ-UHFFFAOYAQ
4.Std. InChI: InChI=1S/C5H10O3/c1-3-4-8-5(6)7-2/h3-4H2,1-2H3