Chemical Properties of Carvacrol isobutyrate

Carvacrol isobutyrate

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InChI
InChI=1S/C14H20O2/c1-9(2)12-7-6-11(5)13(8-12)16-14(15)10(3)4/h6-10H,1-5H3
InChI Key
PTBIDNCHJOFNFQ-UHFFFAOYSA-N
Formula
C14H20O2
SMILES
Cc1ccc(C(C)C)cc1OC(=O)C(C)C
Molecular Weight1
220.31
Sources

Physical Properties

Property Value Unit Source
Δf -78.65 kJ/mol Joback Calculated Property
Δfgas -374.06 kJ/mol Joback Calculated Property
Δfus 21.02 kJ/mol Joback Calculated Property
Δvap 58.74 kJ/mol Joback Calculated Property
logPoct/wat 3.68 Crippen Calculated Property
Pc 2068.00 kPa Joback Calculated Property
Tboil 631.77 K Joback Calculated Property
Tc 841.45 K Joback Calculated Property
Tfus 341.16 K Joback Calculated Property
Vc 0.72 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 494.38 J/mol×K 631.77 Joback Calculated Property
η 0.00 Pa×s 631.77 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 2
-O- (nonring) 1
>C=O (nonring) 1
=CH- (ring) 3
=C< (ring) 3
-CH3 5

Similar Compounds

isothymyl butyrate. Phenol, 2-methyl-5-(1-methylethyl)-, acetate. Phenol, 2-methyl-5-(1-methylethyl)-, acetate. 6-Methoxythymyl isobutyrate. Thymyl isobutyrate. 8,9-Dehydrothymol isobutyrate. 6-Methoxythymyl 2-methylbutyrate. Thymyl 2-methylbutyrate. 5-Isopropyl-2-methylphenyl 3,5,5-trimethylhexanoate. 6-Methoxythymyl isobutyrate. thymyl valerate. 5-methyl-2-(isopropyl)phenyl isovalerate. Isobutyric acid, 2,3-dimethylphenyl ester. Carvacrol, ethyl ether. 2-(Isobutyryloxy)-thymol methyl ether.

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