ChemSpider 2D Image | (2S)-2,3-Dihydroxypropyl (7Z)-7-pentadecenoate | C18H34O4

(2S)-2,3-Dihydroxypropyl (7Z)-7-pentadecenoate

  • Molecular FormulaC18H34O4
  • Average mass314.460 Da
  • Monoisotopic mass314.245697 Da
  • ChemSpider ID35035603

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2S)-2,3-Dihydroxypropyl (7Z)-7-pentadecenoate [ACD/IUPAC Name]
(2S)-2,3-Dihydroxypropyl-(7Z)-7-pentadecenoat [German] [ACD/IUPAC Name]
(2S)-2,3-dihydroxypropyl(7Z)-pentadec-7-enoate
(7Z)-7-Pentadécénoate de (2S)-2,3-dihydroxypropyle [French] [ACD/IUPAC Name]
7-Pentadecenoic acid, (2S)-2,3-dihydroxypropyl ester, (7Z)- [ACD/Index Name]
78M

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AI3-28784 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 445.3±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 81.2±6.0 kJ/mol
Flash Point: 148.1±19.4 °C
Index of Refraction: 1.480
Molar Refractivity: 90.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 5.12
ACD/LogD (pH 5.5): 5.04
ACD/BCF (pH 5.5): 3988.36
ACD/KOC (pH 5.5): 13153.53
ACD/LogD (pH 7.4): 5.04
ACD/BCF (pH 7.4): 3988.35
ACD/KOC (pH 7.4): 13153.52
Polar Surface Area: 67 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 38.2±3.0 dyne/cm
Molar Volume: 318.1±3.0 cm3

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