- InChI
- InChI=1S/C18H11NO2/c19-12-13-8-10-15(11-9-13)21-18(20)17-7-3-5-14-4-1-2-6-16(14)17/h1-11H
- InChI Key
- XJZYDLZARKPZFG-UHFFFAOYSA-N
- Formula
- C18H11NO2
- SMILES
-
N#Cc1ccc(OC(=O)c2cccc3ccccc23)
cc1 - Molecular Weight1
- 273.29
- 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° | 312.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 146.42 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.81 | kJ/mol | Joback Calculated Property |
| log10WS | -5.72 | Crippen Calculated Property | |
| logPoct/wat | 3.931 | Crippen Calculated Property | |
| McVol | 206.320 | ml/mol | McGowan Calculated Property |
| Pc | 2384.19 | kPa | Joback Calculated Property |
| Inp | [2542.00; 2542.00] |
|
|
| Inp | 2542.00 | NIST | |
| Inp | 2542.00 | NIST | |
| Tboil | 871.91 | K | Joback Calculated Property |
| Tc | 1132.38 | K | Joback Calculated Property |
| Tfus | 540.35 | K | Joback Calculated Property |
| Vc | 0.799 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [568.09; 621.65] | J/mol×K | [871.91; 1132.38] |
|
| Cp,gas | 568.09 | J/mol×K | 871.91 | Joback Calculated Property |
| Cp,gas | 579.20 | J/mol×K | 915.32 | Joback Calculated Property |
| Cp,gas | 589.30 | J/mol×K | 958.73 | Joback Calculated Property |
| Cp,gas | 598.48 | J/mol×K | 1002.15 | Joback Calculated Property |
| Cp,gas | 606.87 | J/mol×K | 1045.56 | Joback Calculated Property |
| Cp,gas | 614.56 | J/mol×K | 1088.97 | Joback Calculated Property |
| Cp,gas | 621.65 | J/mol×K | 1132.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Naphthoic acid, 4-cyanophenyl ester.
Sources
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