Chemical Properties of Butanoic acid, 2-methyl-, 3,7-dimethyl-6-octenyl ester (CAS 85409-36-5)

Butanoic acid, 2-methyl-, 3,7-dimethyl-6-octenyl ester

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InChI
InChI=1S/C15H28O2/c1-6-14(5)15(16)17-11-10-13(4)9-7-8-12(2)3/h8,13-14H,6-7,9-11H2,1-5H3
InChI Key
VLUIZCDJJSDSKM-UHFFFAOYSA-N
Formula
C15H28O2
SMILES
CCC(C)C(=O)OCCC(C)CCC=C(C)C
Molecular Weight1
240.38
CAS
85409-36-5
Other Names
  • 3,7-dimethyloct-6-enyl 2-methylbutyrate
  • Citronellyl 2-methylbutanoate
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Physical Properties

Property Value Unit Source
Δf -91.71 kJ/mol Joback Calculated Property
Δfgas -500.86 kJ/mol Joback Calculated Property
Δfus 29.24 kJ/mol Joback Calculated Property
Δvap 57.40 kJ/mol Joback Calculated Property
log10WS -4.33 Crippen Calculated Property
logPoct/wat 4.348 Crippen Calculated Property
McVol 225.350 ml/mol McGowan Calculated Property
Pc 1551.22 kPa Joback Calculated Property
Inp [1560.00; 1587.90]   Show Hide
Inp 1587.90 NIST
Inp 1560.00 NIST
Inp 1560.00 NIST
Inp 1587.90 NIST
Tboil 622.05 K Joback Calculated Property
Tc 803.00 K Joback Calculated Property
Tfus 281.93 K Joback Calculated Property
Vc 0.869 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [601.07; 696.20] J/mol×K [622.05; 803.00] Show Hide
Cp,gas 601.07 J/mol×K 622.05 Joback Calculated Property
Cp,gas 618.93 J/mol×K 652.21 Joback Calculated Property
Cp,gas 635.95 J/mol×K 682.37 Joback Calculated Property
Cp,gas 652.16 J/mol×K 712.52 Joback Calculated Property
Cp,gas 667.59 J/mol×K 742.68 Joback Calculated Property
Cp,gas 682.26 J/mol×K 772.84 Joback Calculated Property
Cp,gas 696.20 J/mol×K 803.00 Joback Calculated Property

Similar Compounds

Citronellyl isobutyrate. Citronellyl hexanoate. Citronellyl valerate. Citronellyl butyrate. Citronellyl isooctanoate. Citronellyl heptanoate. Adipic acid, «beta»-citronellyl isobutyl ester. Citronellyl octanoate. 3,7-Dimethyloct-6-en-1-yl decanoate. 3,7-dimethyloct-6-en-1-yl stearate. 3,7-Dimethyloct-6-en-1-yl palmitate. 3,7-Dimethyloct-6-en-1-yl tetradecanoate. Citronellyl icosanoate. 3,7-Dimethyloct-6-en-1-yl dodecanoate. 3,7-Dimethyloct-6-en-1-yl nonanoate.

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

Sources

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