Chemical Properties of Butanoic acid, 3-oxo-, phenylmethyl ester (CAS 5396-89-4)

Butanoic acid, 3-oxo-, phenylmethyl ester

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InChI
InChI=1S/C11H12O3/c1-9(12)7-11(13)14-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
InChI Key
WOFAGNLBCJWEOE-UHFFFAOYSA-N
Formula
C11H12O3
SMILES
CC(=O)CC(=O)OCc1ccccc1
Molecular Weight1
192.21
CAS
5396-89-4
Other Names
  • Acetoacetic acid, benzyl ester
  • Benzyl acetoacetate
  • Benzyl acetylacetate
  • Benzyl 3-oxobutanoate
  • NSC 4391
  • Phenylmethyl 3-oxobutanoate
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Physical Properties

Property Value Unit Source
Δf -208.69 kJ/mol Joback Calculated Property
Δfgas -391.22 kJ/mol Joback Calculated Property
Δfus 22.67 kJ/mol Joback Calculated Property
Δvap 58.26 kJ/mol Joback Calculated Property
log10WS -2.17 Crippen Calculated Property
logPoct/wat 1.709 Crippen Calculated Property
McVol 151.100 ml/mol McGowan Calculated Property
Pc 2973.04 kPa Joback Calculated Property
Tboil 607.92 K Joback Calculated Property
Tc 824.86 K Joback Calculated Property
Tfus 362.24 K Joback Calculated Property
Vc 0.574 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [363.58; 430.30] J/mol×K [607.92; 824.86] Show Hide
Cp,gas 363.58 J/mol×K 607.92 Joback Calculated Property
Cp,gas 376.71 J/mol×K 644.08 Joback Calculated Property
Cp,gas 389.01 J/mol×K 680.23 Joback Calculated Property
Cp,gas 400.49 J/mol×K 716.39 Joback Calculated Property
Cp,gas 411.19 J/mol×K 752.55 Joback Calculated Property
Cp,gas 421.12 J/mol×K 788.70 Joback Calculated Property
Cp,gas 430.30 J/mol×K 824.86 Joback Calculated Property
η [0.0002109; 0.0019508] Pa×s [362.24; 607.92] Show Hide
η 0.0019508 Pa×s 362.24 Joback Calculated Property
η 0.0011154 Pa×s 403.19 Joback Calculated Property
η 0.0007070 Pa×s 444.13 Joback Calculated Property
η 0.0004839 Pa×s 485.08 Joback Calculated Property
η 0.0003514 Pa×s 526.03 Joback Calculated Property
η 0.0002673 Pa×s 566.97 Joback Calculated Property
η 0.0002109 Pa×s 607.92 Joback Calculated Property

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 430.70 K 1.30 NIST

Similar Compounds

Butanoic acid, phenylmethyl ester. Butanoic acid, 3-methyl-, phenylmethyl ester. Dibenzyl malonate. Pentanoic acid, 4-oxo-, phenylmethyl ester. Dibenzyl succinate. Butanedioic acid, methyl phenylmethyl ester. Pentanoic acid, phenylmethyl ester. Propanoic acid, phenylmethyl ester. [1,1,1-2H3]-4-Benzyloxy-2-butanone. [1,1,1,3,3-2H5]-4-Benzyloxy-2-butanone. Hexanoic acid, phenylmethyl ester. Hexanedioic acid, bis(phenylmethyl) ester. Heptanoic acid, phenylmethyl ester. Heptadecanoic acid, phenylmethyl ester. Octadecanoic acid, phenylmethyl ester.

Find more compounds similar to Butanoic acid, 3-oxo-, phenylmethyl ester.

Sources

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