Chemical Properties of Butyl methyl phthalate (CAS 34006-76-3)

Butyl methyl phthalate

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InChI
InChI=1S/C13H16O4/c1-3-4-9-17-13(15)11-8-6-5-7-10(11)12(14)16-2/h5-8H,3-4,9H2,1-2H3
InChI Key
XXFSYINDUHLBIL-UHFFFAOYSA-N
Formula
C13H16O4
SMILES
CCCCOC(=O)c1ccccc1C(=O)OC
Molecular Weight1
236.26
CAS
34006-76-3
Other Names
  • Butyl methyl phthalate
  • Methyl butyl phthalate
  • Phthalic acid, butyl methyl ester
Sources

Physical Properties

Property Value Unit Source
Δf -306.48 kJ/mol Joback Calculated Property
Δfgas -576.19 kJ/mol Joback Calculated Property
Δfus 28.65 kJ/mol Joback Calculated Property
Δvap 65.78 kJ/mol Joback Calculated Property
logPoct/wat 2.43 Crippen Calculated Property
Pc 2361.07 kPa Joback Calculated Property
Tboil 681.08 K Joback Calculated Property
Tc 889.77 K Joback Calculated Property
Tfus 419.53 K Joback Calculated Property
Vc 0.70 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 487.57 J/mol×K 681.08 Joback Calculated Property
η 0.00 Pa×s 681.08 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
>C=O (nonring) 2
=CH- (ring) 4
=C< (ring) 2
-CH2- 3
-CH3 2

Similar Compounds

Dibutyl phthalate. 1,2-Benzenedicarboxylic acid, monobutyl ester. 1,2-Benzenedicarboxylic acid, butyl 2-methylpropyl ester. Phthalic acid, ethyl 3-methylbutyl ester. 1,2-Benzenedicarboxylic acid, bis(3-methylbutyl) ester. Phthalic acid, 3-methylbutyl propyl ester. Phthalic acid, pent-4-enyl propyl ester. 1,2-Benzenedicarboxylic acid, dipentyl ester. Dipent-4-enyl phthalate. Phthalic acid, ethyl pent-4-enyl ester. Methyl pentyl phthalate. Phthalic acid, butyl pent-4-enyl ester. Methyl propyl phthalate. 1,2-Benzenedicarboxylic acid, dipropyl ester. 2-(Pentyloxycarbonyl)benzoic acid.

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