- InChI
- InChI=1S/C10H7NO3/c11-6-8(10(13)14)4-7-2-1-3-9(12)5-7/h1-5,12H,(H,13,14)/b8-4+
- InChI Key
- HPLNTJVXWMJLNJ-XBXARRHUSA-N
- Formula
- C10H7NO3
- SMILES
- N#CC(=Cc1cccc(O)c1)C(=O)O
- Molecular Weight1
- 189.17
- CAS
- 54673-07-3
- Other Names
-
- 2-Propenoic acid, 2-cyano-3-(3-hydroxyphenyl)-
- alpha-cyano-m-hydroxycinnamic acid
- ω : Acentric Factor.
- 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 |
|---|---|---|---|
| ω | 0.8089 | Relay (1.0) Calculated Property | |
| ΔfG° | -69.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -265.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.91 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.75 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.384 | Crippen Calculated Property | |
| McVol | 138.390 | ml/mol | McGowan Calculated Property |
| Pc | 4379.97 | kPa | Joback Calculated Property |
| Tboil | 614.77 | K | Relay (1.0) Calculated Property |
| Tc | 894.08 | K | Relay (1.0) Calculated Property |
| Tfus | 430.98 | K | Relay (1.0) Calculated Property |
| Vc | 0.467 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [355.63; 395.87] | J/mol×K | [787.67; 1019.81] | 
|
| Cp,gas | 355.63 | J/mol×K | 787.67 | Joback Calculated Property |
| Cp,gas | 362.77 | J/mol×K | 826.36 | Joback Calculated Property |
| Cp,gas | 369.59 | J/mol×K | 865.05 | Joback Calculated Property |
| Cp,gas | 376.20 | J/mol×K | 903.74 | Joback Calculated Property |
| Cp,gas | 382.72 | J/mol×K | 942.43 | Joback Calculated Property |
| Cp,gas | 389.23 | J/mol×K | 981.12 | Joback Calculated Property |
| Cp,gas | 395.87 | J/mol×K | 1019.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «alpha»-Cyano-3-hydroxycinnamic acid.
Sources
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