- InChI
- InChI=1S/C19H16O2/c1-13-7-5-12-18(14(13)2)21-19(20)17-11-6-9-15-8-3-4-10-16(15)17/h3-12H,1-2H3
- InChI Key
- HVWYTSOYJVKMDN-UHFFFAOYSA-N
- Formula
- C19H16O2
- SMILES
-
Cc1cccc(OC(=O)c2cccc3ccccc23)c
1C - Molecular Weight1
- 276.33
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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 | 0.6916 | Relay (1.0) Calculated Property | |
| ΔfG° | 101.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -139.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.51 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.66 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.676 | Crippen Calculated Property | |
| McVol | 219.030 | ml/mol | McGowan Calculated Property |
| Pc | 2113.89 | kPa | Joback Calculated Property |
| Inp | 2539.00 | NIST | |
| Tboil | 668.82 | K | Relay (1.0) Calculated Property |
| Tc | 979.79 | K | Relay (1.0) Calculated Property |
| Tfus | 360.01 | K | Relay (1.0) Calculated Property |
| Vc | 0.800 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [604.09; 676.62] | J/mol×K | [779.82; 1026.12] | 
|
| Cp,gas | 604.09 | J/mol×K | 779.82 | Joback Calculated Property |
| Cp,gas | 619.11 | J/mol×K | 820.87 | Joback Calculated Property |
| Cp,gas | 632.84 | J/mol×K | 861.92 | Joback Calculated Property |
| Cp,gas | 645.36 | J/mol×K | 902.97 | Joback Calculated Property |
| Cp,gas | 656.78 | J/mol×K | 944.02 | Joback Calculated Property |
| Cp,gas | 667.17 | J/mol×K | 985.07 | Joback Calculated Property |
| Cp,gas | 676.62 | J/mol×K | 1026.12 | Joback Calculated Property |
| η | [0.0001458; 0.0008693] | Pa×s | [469.32; 779.82] |
|
| η | 0.0008693 | Pa×s | 469.32 | Joback Calculated Property |
| η | 0.0005569 | Pa×s | 521.07 | Joback Calculated Property |
| η | 0.0003866 | Pa×s | 572.82 | Joback Calculated Property |
| η | 0.0002851 | Pa×s | 624.57 | Joback Calculated Property |
| η | 0.0002203 | Pa×s | 676.32 | Joback Calculated Property |
| η | 0.0001766 | Pa×s | 728.07 | Joback Calculated Property |
| η | 0.0001458 | Pa×s | 779.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Naphthoic acid, 2,3-dimethylphenyl ester.
Sources
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