Chemical Properties of 1,5-Dimethyl-1-vinyl-4-hexenyl butyrate (CAS 78-36-4)

1,5-Dimethyl-1-vinyl-4-hexenyl butyrate

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InChI
InChI=1S/C14H24O2/c1-6-9-13(15)16-14(5,7-2)11-8-10-12(3)4/h7,10H,2,6,8-9,11H2,1,3-5H3
InChI Key
FHLGUOHLUFIAAA-UHFFFAOYSA-N
Formula
C14H24O2
SMILES
C=CC(C)(CCC=C(C)C)OC(=O)CCC
Molecular Weight1
224.34
CAS
78-36-4
Other Names
  • Linalyl butyrate
  • Butanoic acid, 1-ethenyl-1,5-dimethyl-4-hexenyl ester
  • Butyric acid, linalyl ester
  • Butyric acid, 1,5-dimethyl-1-vinyl-4-hexenyl ester
  • Linalyl butanoate
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Physical Properties

Property Value Unit Source
Δf -4.57 kJ/mol Joback Calculated Property
Δfgas -352.98 kJ/mol Joback Calculated Property
Δfus 25.00 kJ/mol Joback Calculated Property
Δvap 53.99 kJ/mol Joback Calculated Property
log10WS -4.36 Crippen Calculated Property
logPoct/wat 4.021 Crippen Calculated Property
McVol 206.960 ml/mol McGowan Calculated Property
Pc 1739.01 kPa Joback Calculated Property
Inp [1402.00; 1422.00]   Show Hide
Inp 1408.20 NIST
Inp 1422.00 NIST
Inp 1402.00 NIST
Inp 1414.00 NIST
Inp 1420.00 NIST
Inp 1420.00 NIST
Inp 1422.00 NIST
I [1680.00; 1698.00]   Show Hide
I 1698.00 NIST
I 1680.00 NIST
I 1698.00 NIST
I 1680.00 NIST
Tboil 593.50 K Joback Calculated Property
Tc 781.84 K Joback Calculated Property
Tfus 301.32 K Joback Calculated Property
Vc 0.794 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [528.80; 618.13] J/mol×K [593.50; 781.84] Show Hide
Cp,gas 528.80 J/mol×K 593.50 Joback Calculated Property
Cp,gas 545.80 J/mol×K 624.89 Joback Calculated Property
Cp,gas 561.90 J/mol×K 656.28 Joback Calculated Property
Cp,gas 577.14 J/mol×K 687.67 Joback Calculated Property
Cp,gas 591.56 J/mol×K 719.06 Joback Calculated Property
Cp,gas 605.21 J/mol×K 750.45 Joback Calculated Property
Cp,gas 618.13 J/mol×K 781.84 Joback Calculated Property

Similar Compounds

Pentanoic acid, 1-ethenyl-1,5-dimethyl-4-hexenyl ester. 1,6-Octadien-3-ol, 3,7-dimethyl-, propanoate. Butanoic acid, 3-methyl-, 1-ethenyl-1,5-dimethyl-4-hexenyl ester. Hexanoic acid, 1-ethenyl-1,5-dimethyl-4-hexenyl ester. Linalyl heptanoate. Linalyl acetate. 1,5-dimethyl-1-vinylhept-4-enyl acetate. Linalyl isobutyrate. Linalyl 2-methylbutanoate. Nerolidyl propionate. linalyl 3-methylhexanoate. (Z)-Nerolidol acetate. Nerolidyl acetate. trans-Nerolidyl Acetate. (Z)-Nerolidyl acetate.

Find more compounds similar to 1,5-Dimethyl-1-vinyl-4-hexenyl butyrate.

Sources

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