Chemical Properties of Geranyl propionate (CAS 105-90-8)

Geranyl propionate

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InChI
InChI=1S/C13H22O2/c1-5-13(14)15-10-9-12(4)8-6-7-11(2)3/h7,9H,5-6,8,10H2,1-4H3/b12-9+
InChI Key
BYCHQEILESTMQU-FMIVXFBMSA-N
Formula
C13H22O2
SMILES
CCC(=O)OCC=C(C)CCC=C(C)C
Molecular Weight1
210.31
CAS
105-90-8
Other Names
  • (2E)-3,7-Dimethyl-2,6-octadienyl propionate
  • (E)-3,7-Dimethyl-2,6-octadien-1-ol propanoate
  • 2,6-Octadien-1-ol, 3,7-dimethyl-, 1-propanoate, (2E)-
  • 2,6-Octadien-1-ol, 3,7-dimethyl-, propanoate, (2E)-
  • 2,6-Octadien-1-ol, 3,7-dimethyl-, propanoate, (E)-
  • 2,6-Octadien-1-ol, 3,7-dimethyl-, propionate, (E)-
  • Geranyl n-propanoate
  • Geranyl n-propionate
  • Geranyl propanoate
  • Propionic acid, geranyl ester
  • trans-3,7-Dimethyl-2,6-octadienyl propionate
Sources

Physical Properties

Property Value Unit Source
Δf -32.00 kJ/mol Joback Calculated Property
Δfgas -341.59 kJ/mol Joback Calculated Property
Δfus 30.00 kJ/mol Joback Calculated Property
Δvap 53.76 kJ/mol Joback Calculated Property
logPoct/wat 3.63 Crippen Calculated Property
Pc 1880.53 kPa Joback Calculated Property
Tboil 581.21 K Joback Calculated Property
Tc 768.75 K Joback Calculated Property
Tfus 270.35 K Joback Calculated Property
Vc 0.75 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 476.11 J/mol×K 581.21 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
=C< 2
>C=O (nonring) 1
-CH2- 4
=CH- 2
-CH3 4

Similar Compounds

2,6-Octadien-1-ol, 3,7-dimethyl-, propanoate, (Z)-. (2E,6E)-3,7,11-Trimethyldodeca-2,6,10-trienyl propionate. Neryl isobutanoate. Propanoic acid, 2-methyl-, 3,7-dimethyl-2,6-octadienyl ester, (E)-. Butanoic acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-. Neryl butyrate. 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (Z)-. 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate. Geranyl acetate. Acetic acid, geranyl ester. (E,Z)-farnesyl acetate. (Z,E)-Farnesyl acetate. (Z)-Farnesyl acetate. 2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-, acetate, (E,E)-. Farnesyl acetate.

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