Chemical Properties of Thymyl isobutyrate (CAS 5451-67-2)

Thymyl isobutyrate

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InChI
InChI=1S/C14H20O2/c1-9(2)12-7-6-11(5)8-13(12)16-14(15)10(3)4/h6-10H,1-5H3
InChI Key
HTPVUEJWIFHSCK-UHFFFAOYSA-N
Formula
C14H20O2
SMILES
Cc1ccc(C(C)C)c(OC(=O)C(C)C)c1
Molecular Weight1
220.31
CAS
5451-67-2
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

Thymyl 2-methylbutyrate. 6-Methoxythymyl isobutyrate. thymyl valerate. 5-methyl-2-(isopropyl)phenyl isovalerate. Phenol, 5-methyl-2-(1-methylethyl)-, acetate. Thymyl methacrylate. 6-Methoxythymyl 2-methylbutyrate. Carvacrol isobutyrate. 6-Methoxythymyl isobutyrate. 2-Ethylbutyric acid, 2-isopropylphenyl ester. Thymyl tiglate. Thymyl angelate. Isothymol isobutyrate. isothymyl butyrate. 8,9-Dehydrothymyl isobutyrate.

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