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CAS No.: | 83763-12-6 |
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Name: | 3-phenyl-3-propylpentane-1,5-diol |
Molecular Structure: | |
Formula: | C14H22O2 |
Molecular Weight: | 222.327 |
Synonyms: | NSC 118107;3-Phenyl-3-propyl-1,5-pentanediol;3-phenyl-3-propylpentane-1,5-diol; |
EINECS: | 280-696-2 |
Density: | 1.023 g/cm3 |
Boiling Point: | 384.8 °C at 760 mmHg |
Flash Point: | 181 °C |
PSA: | 40.46000 |
LogP: | 2.48930 |
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The CAS register number of 1,5-Pentanediol,3-phenyl-3-propyl- is 83763-12-6. It also can be called as 3-Phenyl-3-propyl-1,5-pentanediol and the IUPAC name about this chemical is 3-phenyl-3-propylpentane-1,5-diol. The molecular formula about this chemical is C14H22O2 and the molecular weight is 222.32.
Physical properties about 1,5-Pentanediol,3-phenyl-3-propyl- are: (1)ACD/LogP: 2.31; (2)ACD/LogD (pH 5.5): 2.31; (3)ACD/LogD (pH 7.4): 2.31; (4)ACD/BCF (pH 5.5): 33.42; (5)ACD/BCF (pH 7.4): 33.42; (6)ACD/KOC (pH 5.5): 429.06; (7)ACD/KOC (pH 7.4): 429.06; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 9; (11)Polar Surface Area: 18.46 Å2; (12)Index of Refraction: 1.522; (13)Molar Refractivity: 66.24 cm3; (14)Molar Volume: 217.1 cm3; (15)Polarizability: 26.26x10-24cm3; (16)Surface Tension: 40.5 dyne/cm; (17)Density: 1.023 g/cm3; (18)Flash Point: 181 °C; (19)Enthalpy of Vaporization: 66.82 kJ/mol; (20)Boiling Point: 384.8 °C at 760 mmHg; (21)Vapour Pressure: 1.31E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: OCCC(c1ccccc1)(CCO)CCC
(2)InChI: InChI=1/C14H22O2/c1-2-8-14(9-11-15,10-12-16)13-6-4-3-5-7-13/h3-7,15-16H,2,8-12H2,1H3
(3)InChIKey: RCNZXFQYVXUHBN-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C14H22O2/c1-2-8-14(9-11-15,10-12-16)13-6-4-3-5-7-13/h3-7,15-16H,2,8-12H2,1H3
(5)Std. InChIKey: RCNZXFQYVXUHBN-UHFFFAOYSA-N