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ChemSpider 2D Image | 2,2,4-Trimethyl-4-heptanol | C10H22O

2,2,4-Trimethyl-4-heptanol

  • Molecular FormulaC10H22O
  • Average mass158.281 Da
  • Monoisotopic mass158.167068 Da
  • ChemSpider ID26558752

More details:

Date of deprecation: 13:06, Oct 22, 2013
Reason for deprecation: Deprecate record: there are no supporting data sources.

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

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

2,2,4-Trimethyl-4-heptanol [German] [ACD/IUPAC Name]
2,2,4-Trimethyl-4-heptanol [ACD/IUPAC Name]
2,2,4-Triméthyl-4-heptanol [French] [ACD/IUPAC Name]
2,2,4-Trimethylheptan-4-ol
4-Heptanol, 2,2,4-trimethyl- [ACD/Index Name]
57233-31-5 [RN]

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

Density: 0.8±0.1 g/cm3
Boiling Point: 183.1±8.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.8 mmHg at 25°C
Enthalpy of Vaporization: 48.8±6.0 kJ/mol
Flash Point: 68.8±8.6 °C
Index of Refraction: 1.435
Molar Refractivity: 49.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.33
ACD/LogD (pH 5.5): 3.33
ACD/BCF (pH 5.5): 200.49
ACD/KOC (pH 5.5): 1546.85
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 7.4): 200.49
ACD/KOC (pH 7.4): 1546.85
Polar Surface Area: 20 Å2
Polarizability: 19.8±0.5 10-24cm3
Surface Tension: 27.3±3.0 dyne/cm
Molar Volume: 191.2±3.0 cm3

Click to predict properties on the Chemicalize site


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