- InChI
- InChI=1S/C11H12N2O4/c14-9(12-7-10(15)16)6-13-11(17)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,14)(H,13,17)(H,15,16)
- InChI Key
- FWYPSSZPXQVFRB-UHFFFAOYSA-N
- Formula
- C11H12N2O4
- SMILES
- O=C(O)CNC(=O)CNC(=O)c1ccccc1
- Molecular Weight1
- 236.22
- CAS
- 1145-32-0
- Other Names
-
- Glycine, N-(N-benzoylglycyl)-
- Glycine, N-hippuroyl-
- Hippurylglycine
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- S°solid,1 bar : Solid phase molar entropy at standard conditions (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°solid | -5210.70 ± 1.40 | kJ/mol | NIST |
| ΔfG° | -190.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -416.87 | kJ/mol | Joback Calculated Property |
| ΔfH°solid | -833.00 ± 1.50 | kJ/mol | NIST |
| ΔfusH° | 37.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.14 | kJ/mol | Joback Calculated Property |
| log10WS | -1.14 | Crippen Calculated Property | |
| logPoct/wat | -0.383 | Crippen Calculated Property | |
| McVol | 172.630 | ml/mol | McGowan Calculated Property |
| Pc | 3736.23 | kPa | Joback Calculated Property |
| S°solid,1 bar | 314.60 | J/mol×K | NIST |
| Tboil | 831.89 | K | Joback Calculated Property |
| Tc | 1044.36 | K | Joback Calculated Property |
| Tfus | 556.08 | K | Joback Calculated Property |
| Vc | 0.650 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [492.96; 534.66] | J/mol×K | [831.89; 1044.36] | 
|
| Cp,gas | 492.96 | J/mol×K | 831.89 | Joback Calculated Property |
| Cp,gas | 501.59 | J/mol×K | 867.30 | Joback Calculated Property |
| Cp,gas | 509.50 | J/mol×K | 902.71 | Joback Calculated Property |
| Cp,gas | 516.72 | J/mol×K | 938.12 | Joback Calculated Property |
| Cp,gas | 523.30 | J/mol×K | 973.53 | Joback Calculated Property |
| Cp,gas | 529.26 | J/mol×K | 1008.95 | Joback Calculated Property |
| Cp,gas | 534.66 | J/mol×K | 1044.36 | Joback Calculated Property |
| Cp,solid | 277.52 | J/mol×K | 296.70 | NIST |
Similar Compounds
Find more compounds similar to Benzoylglycylglycine.
Sources
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