Chemical Properties of 2-Butenoic acid, 3,7-dimethyl-6-octenyl ester (CAS 68039-38-3)

2-Butenoic acid, 3,7-dimethyl-6-octenyl ester

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InChI
InChI=1S/C14H24O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h5,7-8,13H,6,9-11H2,1-4H3/b7-5+
InChI Key
MYGZJMACIRJNPL-FNORWQNLSA-N
Formula
C14H24O2
SMILES
CC=CC(=O)OCCC(C)CCC=C(C)C
Molecular Weight1
224.34
CAS
68039-38-3
Other Names
  • 6-Octen-1-ol, 3,7-dimethyl-, crotonate
  • Citronellyl 2-butenoate
  • Citronellyl «alpha»-crotonate
  • Butenoic acid, 3,7-dimethyl-6-octenyl ester
  • 3,7-Dimethyl-6-octenyl 2-butenoate
  • Citronellyl crotonate
  • Citronellyl but-2-enoate
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Physical Properties

Property Value Unit Source
Δf -17.47 kJ/mol Joback Calculated Property
Δfgas -357.72 kJ/mol Joback Calculated Property
Δfus 30.37 kJ/mol Joback Calculated Property
Δvap 55.52 kJ/mol Joback Calculated Property
log10WS -4.01 Crippen Calculated Property
logPoct/wat 3.878 Crippen Calculated Property
McVol 206.960 ml/mol McGowan Calculated Property
Pc 1737.56 kPa Joback Calculated Property
Inp [1558.00; 1558.00]   Show Hide
Inp 1558.00 NIST
Inp 1558.00 NIST
I 1929.00 NIST
Tboil 603.77 K Joback Calculated Property
Tc 789.85 K Joback Calculated Property
Tfus 280.58 K Joback Calculated Property
Vc 0.798 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [527.76; 616.10] J/mol×K [603.77; 789.85] Show Hide
Cp,gas 527.76 J/mol×K 603.77 Joback Calculated Property
Cp,gas 544.41 J/mol×K 634.78 Joback Calculated Property
Cp,gas 560.24 J/mol×K 665.80 Joback Calculated Property
Cp,gas 575.29 J/mol×K 696.81 Joback Calculated Property
Cp,gas 589.60 J/mol×K 727.82 Joback Calculated Property
Cp,gas 603.19 J/mol×K 758.84 Joback Calculated Property
Cp,gas 616.10 J/mol×K 789.85 Joback Calculated Property

Similar Compounds

Citronellyl isocrotonate. Citronellyl 3-methyl-2-butenoate. Z-Citronellyl tiglate. Citronellyl tiglate. citronellyl geranylate. 6-Octen-1-ol, 3,7-dimethyl-, acetate. 3,7-Dimethyl-6-nonen-1-ol acetate. 6-Octen-1-ol, 3,7-dimethyl-, propanoate. Citronellyl isobutyrate. Fumaric acid, dec-4-enyl isohexyl ester. Butanoic acid, 3-methyl-, 3,7-dimethyl-6-octenyl ester. Citronellyl butyrate. 3,7-dimethyloct-6-enyl 4-methylvalerate. Succinic acid, di(3,7-dimethyloct-6-en-1-yl) ester. Citronellyl valerate.

Find more compounds similar to 2-Butenoic acid, 3,7-dimethyl-6-octenyl ester.

Sources

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