Chemical Properties of .ALPHA.-terpinyl isovalerate (CAS 1142-85-4)

.ALPHA.-terpinyl isovalerate

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InChI
InChI=1S/C15H26O2/c1-11(2)10-14(16)17-15(4,5)13-8-6-12(3)7-9-13/h6,11,13H,7-10H2,1-5H3
InChI Key
XRADSECIALQFFY-UHFFFAOYSA-N
Formula
C15H26O2
SMILES
CC1=CCC(C(C)(C)OC(=O)CC(C)C)CC1
Molecular Weight1
238.37
CAS
1142-85-4
Other Names
  • 2-(4-methyl-1-cyclohex-3-enyl)propan-2-yl 3-methylbutanoate
  • Butanoic acid, 3-methyl-, 1-methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl ester
  • Isovaleric acid, p-menth-1-en-8-yl ester
  • Terpinyl iso-valerate
  • n-Terpinenyl ester of isopentanoic acid
  • «alpha»-Terpenyl isovalerate
  • «alpha»-Terpinyl isopentanoate
Sources

Physical Properties

Property Value Unit Source
Δf -113.32 kJ/mol Joback Calculated Property
Δfgas -511.13 kJ/mol Joback Calculated Property
Δfus 19.12 kJ/mol Joback Calculated Property
Δvap 57.84 kJ/mol Joback Calculated Property
logPoct/wat 4.10 Crippen Calculated Property
Pc 1796.98 kPa Joback Calculated Property
Tboil 638.91 K Joback Calculated Property
Tc 847.30 K Joback Calculated Property
Tfus 339.05 K Joback Calculated Property
Vc 0.80 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 595.79 J/mol×K 638.91 Joback Calculated Property
η 0.00 Pa×s 638.91 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>CH- 1
>C=O (nonring) 1
=CH- (ring) 1
=C< (ring) 1
-CH2- 1
>C< 1
-CH3 5
>CH- (ring) 1
-CH2- (ring) 3

Similar Compounds

ALPHA-TERPINYL BUTYRATE. Terpinyl valerate. 3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, propanoate. Propanoic acid, 2-methyl-, 1-methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl ester. «alpha»-Terpinyl acetate. «alpha»-Terpinyl acetate. epi-«alpha»-Bisabolol, acetate. «alpha»-Bisabolol, acetate. «alpha»-Bisabolol acetate. Menth-1-en-9-yl tiglate, p-. Terpinyl formate. Sobrerol 8-acetate. Tau-Cadinol acetate. 8-Acetoxycarvotanacetone. 3,8-Dimethyl-5-alpha-hydroxy-delta9-octa hydroazulene acetate.

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