Chemical Properties of Butanoic acid, phenylmethyl ester (CAS 103-37-7)

Butanoic acid, phenylmethyl ester

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InChI
InChI=1S/C11H14O2/c1-2-6-11(12)13-9-10-7-4-3-5-8-10/h3-5,7-8H,2,6,9H2,1H3
InChI Key
VONGZNXBKCOUHB-UHFFFAOYSA-N
Formula
C11H14O2
SMILES
CCCC(=O)OCc1ccccc1
Molecular Weight1
178.23
CAS
103-37-7
Other Names
  • Benzyl butanoate
  • Benzyl butyrate
  • Benzyl n-butanoate
  • Benzyl n-butyrate
  • Benzylester kyseliny maselne
  • Butanoic acid, benzyl ester
  • Butyric acid, benzyl ester
  • NSC 8073
  • Phenylmethyl butanoate
  • Phenylmethyl butyrate
  • n-Butyric acid benzyl ester
Sources

Physical Properties

Property Value Unit Source
Δf -79.77 kJ/mol Joback Calculated Property
Δfgas -278.64 kJ/mol Joback Calculated Property
Δfus 21.07 kJ/mol Joback Calculated Property
Δvap 51.51 kJ/mol Joback Calculated Property
logPoct/wat 2.53 Crippen Calculated Property
Pc 2778.85 kPa Joback Calculated Property
Tboil 554.05 K Joback Calculated Property
Tc 763.32 K Joback Calculated Property
Tfus 312.31 K Joback Calculated Property
Vc 0.57 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 346.39 J/mol×K 554.05 Joback Calculated Property
η 0.00 Pa×s 554.05 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>C=O (nonring) 1
=CH- (ring) 5
=C< (ring) 1
-CH2- 3
-CH3 1

Similar Compounds

Pentanoic acid, phenylmethyl ester. Butanoic acid, 3-methyl-, phenylmethyl ester. Propanoic acid, phenylmethyl ester. Hexanoic acid, phenylmethyl ester. Succinate, dibenzyl. Butanedioic acid, methyl phenylmethyl ester. Butanoic acid, 2-methyl-, phenylmethyl ester. Heptanoic acid, phenylmethyl ester. Hexanedioic acid, bis(phenylmethyl) ester. Octanoic acid, phenylmethyl ester. Decanoic acid, phenylmethyl ester. Hexadecanoic acid, phenylmethyl ester. Benzyl undecanoate. Dibenzyl sebacate. Butanoic acid, 3-oxo-, phenylmethyl ester.

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