- InChI
- InChI=1S/C10H9NO2/c1-2-13-10(12)9-5-3-8(7-11)4-6-9/h3-6H,2H2,1H3
- InChI Key
- JLSSWDFCYXSLQX-UHFFFAOYSA-N
- Formula
- C10H9NO2
- SMILES
- CCOC(=O)c1ccc(C#N)cc1
- Molecular Weight1
- 175.18
- CAS
- 7153-22-2
- Other Names
-
- Benzoic acid, 4-cyano-, ethyl ester
- 4-Cyanobenzoic acid, ethyl ester
- 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).
- 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).
- Inp : Non-polar retention indices.
- 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° | 35.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -104.59 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.43 | kJ/mol | Joback Calculated Property |
| log10WS | -2.49 | Crippen Calculated Property | |
| logPoct/wat | 1.735 | Crippen Calculated Property | |
| McVol | 136.820 | ml/mol | McGowan Calculated Property |
| Pc | 2950.48 | kPa | Joback Calculated Property |
| Inp | 1393.00 | NIST | |
| Tboil | 638.23 | K | Joback Calculated Property |
| Tc | 866.78 | K | Joback Calculated Property |
| Tfus | 378.55 | K | Joback Calculated Property |
| Vc | 0.537 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [322.77; 377.02] | J/mol×K | [638.23; 866.78] | 
|
| Cp,gas | 322.77 | J/mol×K | 638.23 | Joback Calculated Property |
| Cp,gas | 333.55 | J/mol×K | 676.32 | Joback Calculated Property |
| Cp,gas | 343.62 | J/mol×K | 714.41 | Joback Calculated Property |
| Cp,gas | 352.99 | J/mol×K | 752.51 | Joback Calculated Property |
| Cp,gas | 361.68 | J/mol×K | 790.60 | Joback Calculated Property |
| Cp,gas | 369.68 | J/mol×K | 828.69 | Joback Calculated Property |
| Cp,gas | 377.02 | J/mol×K | 866.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ethyl 4-cyanobenzoate.
Sources
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