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

Benzalhippuric acid

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
ΔfusH° 36.55 kJ/mol Joback Calculated Property
ΔvapH° 115.64 kJ/mol Relay (1.0) Calculated Property
IE 8.43 eV Relay (1.0) Calculated Property
log10WS -3.29 Relay (1.0) Calculated Property
logPoct/wat 2.542 Crippen Calculated Property
McVol 203.470 ml/mol McGowan Calculated Property
Tboil 648.71 K Relay (1.0) Calculated Property
Tfus 465.84 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

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

«alpha»-Acetamidocinnamic acid. Tetrabenazine M (bis-desmethyl-HO-), diacetylated. Tetrabenazine M (bis-desmethyl-), monoacetylated. etodolac. Etodolac, methylated. 17A-11-Dehydroestradiol, TMS. 11-Dehydroestradiol, TMS. Thymidine, 3'-O-cyclotetramethylene-isopropylsilyl, 5'-O-acetyl. 5,6-Dihydrouracil riboside, TMS. Adenosine, N-(trimethylsilyl)-2',3'-bis-O-(trimethylsilyl)-, 5'-[bis(trimethylsilyl) phosphate]. Bicyclohexyl-1,1'-diol, , 2-(N,N-dimethylaminomethyl)-ferroceneboronate. Tazettine. Thymine, 1-alpha-l-rhamnopyranosyl-. Cytosine arabinoside, dimethyl-allyldimethylsilyl derivative. Thymidine, 3'-O-cyclotetramethylene-tertbutylsilyl, 5'-O-acetyl.

Find more compounds similar to Benzalhippuric acid.

Sources

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