Chemical Properties of Phenol, 2-methyl-5-(1-methylethyl)-, acetate (CAS 6380-28-5)

Phenol, 2-methyl-5-(1-methylethyl)-, acetate

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InChI
InChI=1S/C12H16O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h5-8H,1-4H3
InChI Key
OXZSUQJHKQOGOK-UHFFFAOYSA-N
Formula
C12H16O2
SMILES
CC(=O)Oc1cc(C(C)C)ccc1C
Molecular Weight1
192.25
CAS
6380-28-5
Other Names
  • 5-Isopropyl-o-tolyl acetate
  • Carvacrol acetate
  • Carvacryl acetate
Sources

Physical Properties

Property Value Unit Source
Δf -93.05 kJ/mol Joback Calculated Property
Δfgas -327.50 kJ/mol Joback Calculated Property
Δfus 19.36 kJ/mol Joback Calculated Property
Δvap 54.67 kJ/mol Joback Calculated Property
logPoct/wat 3.04 Crippen Calculated Property
Pc 2462.92 kPa Joback Calculated Property
Tboil 586.45 K Joback Calculated Property
Tc 798.75 K Joback Calculated Property
Tfus 333.62 K Joback Calculated Property
Vc 0.62 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 393.82 J/mol×K 586.45 Joback Calculated Property
η 0.00 Pa×s 586.45 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 1
>C=O (nonring) 1
=CH- (ring) 3
=C< (ring) 3
-CH3 4

Similar Compounds

Phenol, 2-methyl-5-(1-methylethyl)-, acetate. Carvacrol, ethyl ether. isothymyl butyrate. Carvacrol isobutyrate. Phenol, 5-methyl-2-(1-methylethyl)-, acetate. 2,5-Dimethylphenyl acetate. Tert-butylhydroquinone, diacetate. Carvacrol methyl ether. 6-Methoxythymyl isobutyrate. Thymyl isobutyrate. 5-Isopropyl-2-methylphenyl 3,5,5-trimethylhexanoate. Thymyl formate. 2,5-Diacetoxytoluene. 6-Methoxythymyl isobutyrate. M-ethylphenyl acetate.

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