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
  • 2,6-Octadienoic acid, 3,7-dimethyl-, methyl ester, (E)-
  • E-Methylgeranate
  • Geranic acid methyl ester
  • Methyl geranoate
  • Methyl trans-geranate
  • Methyl geranate
  • Methyl (2E)-3,7-dimethyl-2,6-octadienoate
  • (E)-Geranic acid methyl ester
  • Methyl 2,6-octadienoate, 3,7-dimethyl, (E)-
  • Methyl (E)-2,6-octadienoate, 3,7-dimethyl
  • Methyl E-geranate
  • Methyl (E)-geraniate
  • 2,6-Octadienoic acid, 3,7-dimethyl-, methyl ester, (2E)-
  • methyl (E)-3,7-dimethylocta-2,6-dienoate
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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
log10WS -3.00 Crippen Calculated Property
logPoct/wat 2.852 Crippen Calculated Property
McVol 164.690 ml/mol McGowan Calculated Property
Pc 2237.64 kPa Joback Calculated Property
Inp [1270.00; 1336.00]   Show Hide
Inp Outlier 1270.00 NIST
Inp 1319.00 NIST
Inp 1324.00 NIST
Inp 1316.00 NIST
Inp 1284.00 NIST
Inp 1302.00 NIST
Inp 1321.70 NIST
Inp 1302.00 NIST
Inp 1336.00 NIST
Inp 1321.00 NIST
Inp 1305.00 NIST
Inp 1301.00 NIST
Inp 1301.00 NIST
Inp 1326.00 NIST
Inp 1326.00 NIST
Inp 1326.00 NIST
Inp 1313.00 NIST
Inp 1315.00 NIST
Inp 1324.00 NIST
Inp 1326.00 NIST
Inp 1308.00 NIST
Inp 1301.00 NIST
Inp 1321.70 NIST
Inp 1319.00 NIST
Inp 1321.00 NIST
Inp 1324.00 NIST
Inp Outlier 1270.00 NIST
I [1620.00; 1679.00]   Show Hide
I 1620.00 NIST
I 1677.00 NIST
I 1679.00 NIST
I 1678.00 NIST
I 1629.00 NIST
I 1620.00 NIST
I 1629.00 NIST
Tboil 535.45 K Joback Calculated Property
Tc 727.53 K Joback Calculated Property
Tfus 247.81 K Joback Calculated Property
Vc 0.637 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [378.86; 456.47] J/mol×K [535.45; 727.53] Show Hide
Cp,gas 378.86 J/mol×K 535.45 Joback Calculated Property
Cp,gas 393.51 J/mol×K 567.46 Joback Calculated Property
Cp,gas 407.43 J/mol×K 599.48 Joback Calculated Property
Cp,gas 420.66 J/mol×K 631.49 Joback Calculated Property
Cp,gas 433.22 J/mol×K 663.51 Joback Calculated Property
Cp,gas 445.15 J/mol×K 695.52 Joback Calculated Property
Cp,gas 456.47 J/mol×K 727.53 Joback Calculated Property

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

Find more compounds similar to trans-Geranic acid methyl ester.

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.