Chemical Properties of Benzalhippuric acid (CAS 1155-48-2)

Benzalhippuric acid

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InChI
InChI=1S/C16H13NO3/c18-15(13-9-5-2-6-10-13)17-14(16(19)20)11-12-7-3-1-4-8-12/h1-11H,(H,17,18)(H,19,20)/b14-11+
InChI Key
HHWCUKQKFIVCEZ-SDNWHVSQSA-N
Formula
C16H13NO3
SMILES
O=C(O)C(=Cc1ccccc1)NC(=O)c1ccccc1
Molecular Weight1
267.28
CAS
1155-48-2
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Physical Properties

Property Value Unit Source
ΔcH°solid -7769.40 kJ/mol NIST
ΔfG° 75.06 kJ/mol Joback Calculated Property
ΔfH°gas -117.00 kJ/mol Joback Calculated Property
ΔfusH° 36.55 kJ/mol Joback Calculated Property
ΔvapH° 92.41 kJ/mol Joback Calculated Property
log10WS -3.88 Crippen Calculated Property
logPoct/wat 2.542 Crippen Calculated Property
McVol 203.470 ml/mol McGowan Calculated Property
Pc 3072.75 kPa Joback Calculated Property
Tboil 872.97 K Joback Calculated Property
Tc 1106.87 K Joback Calculated Property
Tfus 517.22 K Joback Calculated Property
Vc 0.762 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [579.93; 631.24] J/mol×K [872.97; 1106.87] Show Hide
Cp,gas 579.93 J/mol×K 872.97 Joback Calculated Property
Cp,gas 590.17 J/mol×K 911.95 Joback Calculated Property
Cp,gas 599.61 J/mol×K 950.94 Joback Calculated Property
Cp,gas 608.33 J/mol×K 989.92 Joback Calculated Property
Cp,gas 616.44 J/mol×K 1028.90 Joback Calculated Property
Cp,gas 624.05 J/mol×K 1067.89 Joback Calculated Property
Cp,gas 631.24 J/mol×K 1106.87 Joback Calculated Property

Similar Compounds

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