- InChI
- InChI=1S/C15H11NO2/c16-11-13-6-8-14(9-7-13)18-15(17)10-12-4-2-1-3-5-12/h1-9H,10H2
- InChI Key
- YHXBQMXUSPUGEM-UHFFFAOYSA-N
- Formula
- C15H11NO2
- SMILES
- N#Cc1ccc(OC(=O)Cc2ccccc2)cc1
- Molecular Weight1
- 237.25
- 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° | 189.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 28.74 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.83 | kJ/mol | Joback Calculated Property |
| log10WS | -3.75 | Crippen Calculated Property | |
| logPoct/wat | 2.706 | Crippen Calculated Property | |
| McVol | 183.510 | ml/mol | McGowan Calculated Property |
| Pc | 2525.19 | kPa | Joback Calculated Property |
| Inp | [1988.00; 1988.00] |
|
|
| Inp | 1988.00 | NIST | |
| Inp | 1988.00 | NIST | |
| Tboil | 779.31 | K | Joback Calculated Property |
| Tc | 1028.11 | K | Joback Calculated Property |
| Tfus | 461.32 | K | Joback Calculated Property |
| Vc | 0.710 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [485.48; 541.71] | J/mol×K | [779.31; 1028.11] |
|
| Cp,gas | 485.48 | J/mol×K | 779.31 | Joback Calculated Property |
| Cp,gas | 497.46 | J/mol×K | 820.78 | Joback Calculated Property |
| Cp,gas | 508.32 | J/mol×K | 862.24 | Joback Calculated Property |
| Cp,gas | 518.13 | J/mol×K | 903.71 | Joback Calculated Property |
| Cp,gas | 526.92 | J/mol×K | 945.18 | Joback Calculated Property |
| Cp,gas | 534.77 | J/mol×K | 986.65 | Joback Calculated Property |
| Cp,gas | 541.71 | J/mol×K | 1028.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phenylacetic acid, 4-cyanophenyl ester.
Sources
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