Chemical Properties of Perillyl isobutyrate

Perillyl isobutyrate

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InChI
InChI=1S/C14H22O2/c1-10(2)13-7-5-12(6-8-13)9-16-14(15)11(3)4/h5,11,13H,1,6-9H2,2-4H3/t13-/m1/s1
InChI Key
KAQYLYYVKDTFRT-CYBMUJFWSA-N
Formula
C14H22O2
SMILES
C=C(C)C1CC=C(COC(=O)C(C)C)CC1
Molecular Weight1
222.32
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Physical Properties

Property Value Unit Source
Δf -45.29 kJ/mol Joback Calculated Property
Δfgas -366.10 kJ/mol Joback Calculated Property
Δfus 21.36 kJ/mol Joback Calculated Property
Δvap 56.32 kJ/mol Joback Calculated Property
log10WS -3.66 Crippen Calculated Property
logPoct/wat 3.488 Crippen Calculated Property
McVol 196.100 ml/mol McGowan Calculated Property
Pc 2001.91 kPa Joback Calculated Property
Inp 1567.00 NIST
Tboil 615.82 K Joback Calculated Property
Tc 823.34 K Joback Calculated Property
Tfus 309.64 K Joback Calculated Property
Vc 0.739 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [517.01; 615.03] J/mol×K [615.82; 823.34] Show Hide
Cp,gas 517.01 J/mol×K 615.82 Joback Calculated Property
Cp,gas 535.92 J/mol×K 650.41 Joback Calculated Property
Cp,gas 553.77 J/mol×K 684.99 Joback Calculated Property
Cp,gas 570.58 J/mol×K 719.58 Joback Calculated Property
Cp,gas 586.38 J/mol×K 754.17 Joback Calculated Property
Cp,gas 601.19 J/mol×K 788.75 Joback Calculated Property
Cp,gas 615.03 J/mol×K 823.34 Joback Calculated Property

Similar Compounds

p-Mentha-1,8-dien-7-yl acetate. 2-pinen-10-yl isobutyrate. 1,8(10)-p-Menthadien-9-yl 2-methylbutanoate. «beta»-Isocyclolavandulyl isobutyrate. (Z)-«gamma»-Curcumen-12-yl isobutyrate. 14-Acetoxy-«beta»-caryophyllene. 14-Hydroxy-«beta»-caryophyllene acetate. Myrtenyl 2-methyl butyrate. (Z)-«gamma»-Curcumen-12-yl 2-methylbutyrate. p-mentha-1,8-dien-9-yl propanoate. Myrtenyl caprate. Myrtenyl hexanoate. Myrtenyl laureate. Glutaric acid, myrtenyl 2-ethylhexyl ester. Glutaric acid, myrtenyl cyclohexylmethyl ester.

Find more compounds similar to Perillyl isobutyrate.

Sources

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