- InChI
- InChI=1S/C8H9NO2/c9-8(11)7(10)6-4-2-1-3-5-6/h1-5,7,10H,(H2,9,11)
- InChI Key
- MAGPZHKLEZXLNU-UHFFFAOYSA-N
- Formula
- C8H9NO2
- SMILES
- N=C(O)C(O)c1ccccc1
- Molecular Weight1
- 151.16
- CAS
- 4410-31-5
- Other Names
-
- DL-Mandelamide
- Benzeneacetamide, «alpha»-hydroxy-
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | 56.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -83.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.73 | kJ/mol | Joback Calculated Property |
| log10WS | -2.73 | Crippen Calculated Property | |
| logPoct/wat | 1.255 | Crippen Calculated Property | |
| McVol | 117.240 | ml/mol | McGowan Calculated Property |
| Inp | [1535.80; 1535.80] |
|
|
| Inp | 1535.80 | NIST | |
| Inp | 1535.80 | NIST | |
| Tboil | 677.38 | K | Joback Calculated Property |
| Tfus | 381.76 | K | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [29.84; 301.75] | J/mol×K | [100.12; 677.38] |
|
| Cp,gas | 29.84 | J/mol×K | 100.12 | Joback Calculated Property |
| Cp,gas | 29.84 | J/mol×K | 100.12 | Joback Calculated Property |
| Cp,gas | 29.84 | J/mol×K | 100.12 | Joback Calculated Property |
| Cp,gas | 29.84 | J/mol×K | 100.12 | Joback Calculated Property |
| Cp,gas | 29.84 | J/mol×K | 100.12 | Joback Calculated Property |
| Cp,gas | 29.84 | J/mol×K | 100.12 | Joback Calculated Property |
| Cp,gas | 301.75 | J/mol×K | 677.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Mandelamide.
Sources
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