- InChI
- InChI=1S/C21H14O2/c22-21(20-11-5-9-16-7-3-4-10-19(16)20)23-18-13-12-15-6-1-2-8-17(15)14-18/h1-14H
- InChI Key
- LBPUSPRZVDFQNG-UHFFFAOYSA-N
- Formula
- C21H14O2
- SMILES
-
O=C(Oc1ccc2ccccc2c1)c1cccc2ccc
cc12 - Molecular Weight1
- 298.33
- 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).
- 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° | 310.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 110.69 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.65 | kJ/mol | Joback Calculated Property |
| log10WS | -7.17 | Crippen Calculated Property | |
| logPoct/wat | 5.212 | Crippen Calculated Property | |
| McVol | 227.750 | ml/mol | McGowan Calculated Property |
| Pc | 2342.82 | kPa | Joback Calculated Property |
| Inp | 2870.00 | NIST | |
| Tboil | 857.45 | K | Joback Calculated Property |
| Tc | 1120.51 | K | Joback Calculated Property |
| Tfus | 541.87 | K | Joback Calculated Property |
| Vc | 0.864 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [644.39; 714.55] | J/mol×K | [857.45; 1120.51] | 
|
| Cp,gas | 644.39 | J/mol×K | 857.45 | Joback Calculated Property |
| Cp,gas | 658.17 | J/mol×K | 901.29 | Joback Calculated Property |
| Cp,gas | 670.88 | J/mol×K | 945.14 | Joback Calculated Property |
| Cp,gas | 682.71 | J/mol×K | 988.98 | Joback Calculated Property |
| Cp,gas | 693.81 | J/mol×K | 1032.82 | Joback Calculated Property |
| Cp,gas | 704.37 | J/mol×K | 1076.67 | Joback Calculated Property |
| Cp,gas | 714.55 | J/mol×K | 1120.51 | Joback Calculated Property |
| η | [0.0002655; 0.0010508] | Pa×s | [541.87; 857.45] |
|
| η | 0.0010508 | Pa×s | 541.87 | Joback Calculated Property |
| η | 0.0007549 | Pa×s | 594.47 | Joback Calculated Property |
| η | 0.0005723 | Pa×s | 647.06 | Joback Calculated Property |
| η | 0.0004523 | Pa×s | 699.66 | Joback Calculated Property |
| η | 0.0003695 | Pa×s | 752.26 | Joback Calculated Property |
| η | 0.0003098 | Pa×s | 804.85 | Joback Calculated Property |
| η | 0.0002655 | Pa×s | 857.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Naphthoic acid, 2-naphthyl ester.
Sources
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