Chemical Properties of 3-Hexanol, 3-methyl- (CAS 597-96-6)

3-Hexanol, 3-methyl-

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InChI
InChI=1S/C7H16O/c1-4-6-7(3,8)5-2/h8H,4-6H2,1-3H3
InChI Key
KYWJZCSJMOILIZ-UHFFFAOYSA-N
Formula
C7H16O
SMILES
CCCC(C)(O)CC
Molecular Weight1
116.20
CAS
597-96-6
Other Names
  • 2-Ethyl-2-pentanol
  • 3-Methyl-3-hexanol
  • 3-Methyl-hexanol-(3)
  • 3-methylhexan-3-ol
Sources

Physical Properties

Property Value Unit Source
Δf -125.92 kJ/mol Joback Calculated Property
Δfgas -348.79 kJ/mol Joback Calculated Property
Δfus 10.56 kJ/mol Joback Calculated Property
Δvap 46.56 kJ/mol Joback Calculated Property
logPoct/wat 1.95 Crippen Calculated Property
Pc 3159.72 kPa Joback Calculated Property
Tboil [411.15; 416.15] K Show Hide
Tboil 413.15 ± 3.00 K NIST
Tboil 413.65 ± 3.00 K NIST
Tboil 415.95 ± 0.50 K NIST
Tboil 413.65 ± 3.00 K NIST
Tboil 415.95 ± 1.00 K NIST
Tboil 411.15 ± 3.00 K NIST
Tboil 415.65 ± 3.00 K NIST
Tboil 416.15 ± 3.00 K NIST
Tboil 412.65 ± 3.00 K NIST
Tboil 413.15 ± 3.00 K NIST
Tc 618.48 K Joback Calculated Property
Tfus 231.89 K Joback Calculated Property
Vc 0.44 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 250.39 J/mol×K 448.51 Joback Calculated Property
η 0.00 Pa×s 448.51 Joback Calculated Property
ΔvapH 53.60 kJ/mol 369.5 NIST

Molecular Descriptors

Joback and Reid Groups
-CH2- 3
-CH3 3
>C< 1
-OH (alcohol) 1

Similar Compounds

4-Methyl-4-heptanol. 3-Hexanol, 3-ethyl-. 4-Propyl-4-heptanol. 4-Ethyl-4-heptanol. 3-Heptanol, 3-methyl-. 3-Hexanol, 3,5-dimethyl-. 3-Hexanol, 3,5-dimethyl-, (.+/-.)-. 4-Octanol, 4-methyl-. 5-NONANOL, 5-METHYL-. 2-Methyl-2-pentanol. Cyclopentanol, 1-methyl-. 3-Ethyl-3-heptanol. Cyclohexanol, 1-methyl-. 3-Hexanol, 2,3-dimethyl-. Cyclopentanol, 1-ethyl-.

Find more compounds similar to 3-Hexanol, 3-methyl-.

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