Chemical Properties of Butanoic acid, 3-methyl-, 3-phenylpropyl ester (CAS 5452-07-3)

Butanoic acid, 3-methyl-, 3-phenylpropyl ester

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InChI
InChI=1S/C14H20O2/c1-12(2)11-14(15)16-10-6-9-13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-11H2,1-2H3
InChI Key
LBNFCOMOXOWXCD-UHFFFAOYSA-N
Formula
C14H20O2
SMILES
CC(C)CC(=O)OCCCc1ccccc1
Molecular Weight1
220.31
CAS
5452-07-3
Other Names
  • Isovaleric acid, 3-phenylpropyl ester
  • 3-Phenylpropyl 3-methylbutanoate
  • 3-phenylpropyl isovalerate
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Physical Properties

Property Value Unit Source
Δf -56.95 kJ/mol Joback Calculated Property
Δfgas -345.84 kJ/mol Joback Calculated Property
Δfus 25.32 kJ/mol Joback Calculated Property
Δvap 57.80 kJ/mol Joback Calculated Property
log10WS -3.41 Crippen Calculated Property
logPoct/wat 3.208 Crippen Calculated Property
McVol 191.800 ml/mol McGowan Calculated Property
Pc 2110.00 kPa Joback Calculated Property
Inp [1590.00; 1613.00]   Show Hide
Inp 1590.00 NIST
Inp 1613.00 NIST
I 2100.00 NIST
Tboil 622.25 K Joback Calculated Property
Tc 826.14 K Joback Calculated Property
Tfus 331.12 K Joback Calculated Property
Vc 0.730 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [494.55; 580.93] J/mol×K [622.25; 826.14] Show Hide
Cp,gas 494.55 J/mol×K 622.25 Joback Calculated Property
Cp,gas 511.24 J/mol×K 656.23 Joback Calculated Property
Cp,gas 526.98 J/mol×K 690.21 Joback Calculated Property
Cp,gas 541.79 J/mol×K 724.20 Joback Calculated Property
Cp,gas 555.70 J/mol×K 758.18 Joback Calculated Property
Cp,gas 568.74 J/mol×K 792.16 Joback Calculated Property
Cp,gas 580.93 J/mol×K 826.14 Joback Calculated Property
η [0.0001414; 0.0026271] Pa×s [331.12; 622.25] Show Hide
η 0.0026271 Pa×s 331.12 Joback Calculated Property
η 0.0011824 Pa×s 379.64 Joback Calculated Property
η 0.0006378 Pa×s 428.16 Joback Calculated Property
η 0.0003900 Pa×s 476.69 Joback Calculated Property
η 0.0002612 Pa×s 525.21 Joback Calculated Property
η 0.0001872 Pa×s 573.73 Joback Calculated Property
η 0.0001414 Pa×s 622.25 Joback Calculated Property

Similar Compounds

Butanoic acid, 3-phenylpropyl ester. Pentanoic acid, 3-phenylpropyl ester. Glutaric acid, butyl 3-phenylpropyl ester. Glutaric acid, di(3-phenylpropyl) ester. Glutaric acid, 3-phenylpropyl propyl ester. Hexanoic acid, 3-phenylpropyl ester. Glutaric acid, isobutyl 3-phenylpropyl ester. Glutaric acid, ethyl 3-phenylpropyl ester. Pimelic acid, di(3-phenylpropyl) ester. 2-Ethylbutyric acid, 3-phenylpropyl ester. Pimelic acid, 3-phenylpropyl propyl ester. Pimelic acid, butyl 3-phenylpropyl ester. Sebacic acid, 3-phenylpropyl propyl ester. Sebacic acid, butyl 3-phenylpropyl ester. Glutaric acid, pentyl 3-phenylpropyl ester.

Find more compounds similar to Butanoic acid, 3-methyl-, 3-phenylpropyl ester.

Sources

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