Chemical Properties of isobutyl hydrogen phthalate (CAS 30833-53-5)

isobutyl hydrogen phthalate

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InChI
InChI=1S/C12H14O4/c1-8(2)7-16-12(15)10-6-4-3-5-9(10)11(13)14/h3-6,8H,7H2,1-2H3,(H,13,14)
InChI Key
RZJSUWQGFCHNFS-UHFFFAOYSA-N
Formula
C12H14O4
SMILES
CC(C)COC(=O)c1ccccc1C(=O)O
Molecular Weight1
222.24
CAS
30833-53-5
Other Names
  • 2-(Isobutoxycarbonyl)benzoic acid
Sources

Physical Properties

Property Value Unit Source
Δf -349.16 kJ/mol Joback Calculated Property
Δfgas -580.84 kJ/mol Joback Calculated Property
Δfus 25.44 kJ/mol Joback Calculated Property
Δvap 77.44 kJ/mol Joback Calculated Property
logPoct/wat 2.20 Crippen Calculated Property
Pc 2937.70 kPa Joback Calculated Property
Tboil 727.52 K Joback Calculated Property
Tc 932.19 K Joback Calculated Property
Tfus 431.85 K Joback Calculated Property
Vc 0.64 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 463.22 J/mol×K 727.52 Joback Calculated Property
η 0.00 Pa×s 727.52 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>CH- 1
-CH3 2
=CH- (ring) 4
-OH (alcohol) 1
=C< (ring) 2
-CH2- 1
>C=O (nonring) 2

Similar Compounds

Isobutyl methyl phthalate. 1,2-Benzenedicarboxylic acid, bis(2-methylpropyl) ester. 2-(Neopentyloxycarbonyl)benzoic acid. Dineopentyl phthalate. 2-(Propoxycarbonyl)benzoic acid. 1,2-Benzenedicarboxylic acid, dipropyl ester. Methyl propyl phthalate. 1,2-Benzenedicarboxylic acid, butyl 2-methylpropyl ester. 1,2-Benzenedicarboxylic acid, monobutyl ester. Phthalic acid, isobutyl 3-methylbutyl ester. butyl 2-methylbutyl phthalate. Dibutyl phthalate. Butyl methyl phthalate. Phthalic acid, isobutyl pent-4-enyl ester. 2-((But-3-enyloxy)carbonyl)benzoic acid.

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