Chemical Properties of trans-Geranic acid methyl ester (CAS 1189-09-9)

trans-Geranic acid methyl ester

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InChI
InChI=1S/C11H18O2/c1-9(2)6-5-7-10(3)8-11(12)13-4/h6,8H,5,7H2,1-4H3/b10-8+
InChI Key
ACOBBFVLNKYODD-CSKARUKUSA-N
Formula
C11H18O2
SMILES
COC(=O)C=C(C)CCC=C(C)C
Molecular Weight1
182.26
CAS
1189-09-9
Other Names
  • (E)-Geranic acid methyl ester
  • 2,6-Octadienoic acid, 3,7-dimethyl-, methyl ester, (2E)-
  • 2,6-Octadienoic acid, 3,7-dimethyl-, methyl ester, (E)-
  • E-Methylgeranate
  • Geranic acid methyl ester
  • Methyl (2E)-3,7-dimethyl-2,6-octadienoate
  • Methyl (E)-2,6-octadienoate, 3,7-dimethyl
  • Methyl (E)-geraniate
  • Methyl 2,6-octadienoate, 3,7-dimethyl, (E)-
  • Methyl E-geranate
  • Methyl geranate
  • Methyl geranoate
  • Methyl trans-geranate
  • methyl (E)-3,7-dimethylocta-2,6-dienoate
Sources

Physical Properties

Property Value Unit Source
Δf -48.84 kJ/mol Joback Calculated Property
Δfgas -300.31 kJ/mol Joback Calculated Property
Δfus 24.82 kJ/mol Joback Calculated Property
Δvap 49.31 kJ/mol Joback Calculated Property
logPoct/wat 2.85 Crippen Calculated Property
Pc 2237.64 kPa Joback Calculated Property
Tboil 535.45 K Joback Calculated Property
Tc 727.53 K Joback Calculated Property
Tfus 247.81 K Joback Calculated Property
Vc 0.64 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 378.86 J/mol×K 535.45 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

2,6-Octadienoic acid, 3,7-dimethyl-, methyl ester, (Z)-. 2,6-Octadienoic acid, 3,7-dimethyl-, methyl ester. 2,6,10-Dodecatrienoic acid, 3,7,11-trimethyl-, methyl ester. (E,E)-Methyl farnesoate. Methyl 3,7,11-trimerthyl-2,6,10-dodecatrienoate (Methyl farnesate). 2,6,10-Dodecatrienoic acid, 3,7,11-trimethyl-, methyl ester, (E,E)-. 2,6,10-Dodecatrienoic acid, 3,7,11-trimethyl-, methyl ester, (E,Z)-. Ethyl geranate. Ethyl nerate. Geranic acid. Geranic acid. Neric acid. cis,trans-Farnesoic acid. trans,trans-Farnesoic acid. 3,7,11-Trimethyl-dodeca-2,6,10-trienoic acid.

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