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| CAS No.: | 64118-37-2 |
|---|---|
| Name: | VALERIC ACID |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C5H10O2 |
| Molecular Weight: | 104.117 |
| Synonyms: | Pentanoic-2,2-D2 acid;N-Pentanoic acid;N-Valeric acid;Pentane acid; |
| EINECS: | 203-677-2 |
| Density: | 0.966 g/cm3 |
| Melting Point: | -20--18 °C(lit.) |
| Boiling Point: | 185.3 °C at 760 mmHg |
| Flash Point: | 80.5 °C |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34-52/53 |
| Safety: | 26-36-45-61 |
| Transport Information: | UN 3265 8/PG 3 |
| PSA: | 37.30000 |
| LogP: | 1.26120 |
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- Total:5 Page 1 of 1 1
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Specification
The CAS register number of Pentanoic-2,2-d2 acid(9CI) is 64118-37-2. It also can be called as N-Pentanoic acid and the systematic name about this chemical is pentanoic acid. The molecular formula about this chemical is C5H10O2 and the molecular weight is 102.13.
Physical properties about Pentanoic-2,2-d2 acid(9CI) are: (1)ACD/LogP: 1.31; (2)ACD/LogD (pH 5.5): 0.51; (3)ACD/LogD (pH 7.4): -1.28; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 19.58; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 26.3 Å2; (12)Index of Refraction: 1.42; (13)Molar Refractivity: 26.77 cm3; (14)Molar Volume: 105.6 cm3; (15)Polarizability: 10.61x10-24cm3; (16)Surface Tension: 32.7 dyne/cm; (17)Density: 0.966 g/cm3; (18)Flash Point: 80.5 °C; (19)Enthalpy of Vaporization: 44.57 kJ/mol; (20)Boiling Point: 185.3 °C at 760 mmHg; (21)Vapour Pressure: 0.452 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. It may destroy living tissue on contact and cause burns. If you want to use this chemical, refer to special instructions / safety data sheets and wear suitable protective clothing. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) When you are using it, avoid release to the environment. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CCCC
(2)InChI: InChI=1/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)
(3)InChIKey: NQPDZGIKBAWPEJ-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)
(5)Std. InChIKey: NQPDZGIKBAWPEJ-UHFFFAOYSA-N