- InChI
- InChI=1S/C15H11NO3/c1-18-13-8-4-12(5-9-13)15(17)19-14-6-2-11(10-16)3-7-14/h2-9H,1H3
- InChI Key
- FUEVOZVWRDBZFY-UHFFFAOYSA-N
- Formula
- C15H11NO3
- SMILES
-
COc1ccc(C(=O)Oc2ccc(C#N)cc2)cc
1 - Molecular Weight1
- 253.25
- 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).
- 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 |
|---|---|---|---|
| ω | 0.7310 | Relay (1.0) Calculated Property | |
| ΔfG° | 75.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -152.59 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.51 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.786 | Crippen Calculated Property | |
| McVol | 189.380 | ml/mol | McGowan Calculated Property |
| Pc | 2445.89 | kPa | Joback Calculated Property |
| Inp | 2244.00 | NIST | |
| Tboil | 650.37 | K | Relay (1.0) Calculated Property |
| Tc | 911.02 | K | Relay (1.0) Calculated Property |
| Tfus | 402.05 | K | Relay (1.0) Calculated Property |
| Vc | 0.689 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [508.38; 560.38] | J/mol×K | [806.71; 1052.53] | 
|
| Cp,gas | 508.38 | J/mol×K | 806.71 | Joback Calculated Property |
| Cp,gas | 519.82 | J/mol×K | 847.68 | Joback Calculated Property |
| Cp,gas | 530.13 | J/mol×K | 888.65 | Joback Calculated Property |
| Cp,gas | 539.32 | J/mol×K | 929.62 | Joback Calculated Property |
| Cp,gas | 547.42 | J/mol×K | 970.59 | Joback Calculated Property |
| Cp,gas | 554.43 | J/mol×K | 1011.56 | Joback Calculated Property |
| Cp,gas | 560.38 | J/mol×K | 1052.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to p-Anisic acid, 4-cyanophenyl ester.
Sources
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