- InChI
- InChI=1S/C11H11NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-7H,1H3,(H,12,13)(H,14,15)/b10-7-
- InChI Key
- XODAOBAZOQSFDS-YFHOEESVSA-N
- Formula
- C11H11NO3
- SMILES
- CC(=O)NC(=Cc1ccccc1)C(=O)O
- Molecular Weight1
- 205.21
- CAS
- 5469-45-4
- Other Names
-
- «alpha»-Acetaminocinnamic acid
- 2-Propenoic acid, 2-(acetylamino)-3-phenyl-
- «alpha»-Acetoamidocinnamic acid
- 3-Phenyl-2-acetylaminoprop-2-enoic acid
- 1-acetamidocinnamic acid
- 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).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -79.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -250.33 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.00 | kJ/mol | Joback Calculated Property |
| IE | [7.70; 8.67] | eV |
|
| IE | 7.70 | eV | NIST |
| IE | 8.00 | eV | NIST |
| IE | 8.40 | eV | NIST |
| IE | 8.67 | eV | NIST |
| log10WS | -2.11 | Crippen Calculated Property | |
| logPoct/wat | 1.248 | Crippen Calculated Property | |
| McVol | 156.780 | ml/mol | McGowan Calculated Property |
| Pc | 3650.93 | kPa | Joback Calculated Property |
| Tboil | 731.89 | K | Joback Calculated Property |
| Tc | 946.61 | K | Joback Calculated Property |
| Tfus | 434.45 | K | Joback Calculated Property |
| Vc | 0.591 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [412.19; 461.70] | J/mol×K | [731.89; 946.61] |
|
| Cp,gas | 412.19 | J/mol×K | 731.89 | Joback Calculated Property |
| Cp,gas | 422.06 | J/mol×K | 767.68 | Joback Calculated Property |
| Cp,gas | 431.21 | J/mol×K | 803.46 | Joback Calculated Property |
| Cp,gas | 439.70 | J/mol×K | 839.25 | Joback Calculated Property |
| Cp,gas | 447.57 | J/mol×K | 875.04 | Joback Calculated Property |
| Cp,gas | 454.89 | J/mol×K | 910.83 | Joback Calculated Property |
| Cp,gas | 461.70 | J/mol×K | 946.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «alpha»-Acetamidocinnamic acid.
Sources
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