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| CAS No.: | 25265-75-2 |
|---|---|
| Name: | Butyleneglycol |
| Molecular Structure: | |
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| Formula: | C4H10O2 |
| Molecular Weight: | 90.121 |
| Synonyms: | Butyleneglycol; |
| Density: | 1.001 g/cm3 |
| Melting Point: | 199℃ |
| Boiling Point: | 159.9 °C at 760 mmHg |
| Flash Point: | 66.3 °C |
| PSA: | 40.46000 |
| LogP: | 0.09720 |
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Specification
The CAS register number of Butanediol is 25265-75-2. It also can be called as Butyleneglycol and the systematic name about this chemical is butane-1,1-diol. The molecular formula about this chemical is C4H10O2 and the molecular weight is 90.121.
Physical properties about Butanediol are: (1)ACD/LogP: -0.51; (2)ACD/LogD (pH 5.5): -0.51; (3)ACD/LogD (pH 7.4): -0.51; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 12.51; (7)ACD/KOC (pH 7.4): 12.51; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 18.46 Å2; (12)Index of Refraction: 1.437; (13)Molar Refractivity: 23.6 cm3; (14)Molar Volume: 89.9 cm3; (15)Polarizability: 9.35x10-24cm3; (16)Surface Tension: 37.1 dyne/cm; (17)Density: 1.001 g/cm3; (18)Flash Point: 66.3 °C; (19)Enthalpy of Vaporization: 46.18 kJ/mol; (20)Boiling Point: 159.9 °C at 760 mmHg; (21)Vapour Pressure: 0.856 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(O)CCC
(2)InChI: InChI=1/C4H10O2/c1-2-3-4(5)6/h4-6H,2-3H2,1H3
(3)InChIKey: CDQSJQSWAWPGKG-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C4H10O2/c1-2-3-4(5)6/h4-6H,2-3H2,1H3
(5)Std. InChIKey: CDQSJQSWAWPGKG-UHFFFAOYSA-N