ChemSpider 2D Image | (3S)-3-Methyl-1-pentyn-3-yl carbamate | C7H11NO2

(3S)-3-Methyl-1-pentyn-3-yl carbamate

  • Molecular FormulaC7H11NO2
  • Average mass141.168 Da
  • Monoisotopic mass141.078979 Da
  • ChemSpider ID34995769

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-Methyl-1-pentin-3-ylcarbamat [German] [ACD/IUPAC Name]
(3S)-3-Methyl-1-pentyn-3-yl carbamate [ACD/IUPAC Name]
1-Pentyn-3-ol, 3-methyl-, carbamate, (3S)- [ACD/Index Name]
Carbamate de (3S)-3-méthyl-1-pentyn-3-yle [French] [ACD/IUPAC Name]
206-125-9 [EINECS]
302-66-9 [RN]
MEPARFYNOL CARBAMATE
UNII-Z7LGX24O53

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

Density: 1.0±0.1 g/cm3
Boiling Point: 237.5±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.4±3.0 kJ/mol
Flash Point: 105.1±18.9 °C
Index of Refraction: 1.469
Molar Refractivity: 37.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.86
ACD/LogD (pH 5.5): 0.94
ACD/BCF (pH 5.5): 3.05
ACD/KOC (pH 5.5): 77.33
ACD/LogD (pH 7.4): 0.94
ACD/BCF (pH 7.4): 3.05
ACD/KOC (pH 7.4): 77.33
Polar Surface Area: 52 Å2
Polarizability: 14.9±0.5 10-24cm3
Surface Tension: 39.5±3.0 dyne/cm
Molar Volume: 135.1±3.0 cm3

Click to predict properties on the Chemicalize site


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