- InChI
- InChI=1S/C18H14O3/c1-20-16-8-4-7-15(12-16)18(19)21-17-10-9-13-5-2-3-6-14(13)11-17/h2-12H,1H3
- InChI Key
- ZEKYQOAPVYHFEA-UHFFFAOYSA-N
- Formula
- C18H14O3
- SMILES
-
COc1cccc(C(=O)Oc2ccc3ccccc3c2)
c1 - Molecular Weight1
- 278.30
- 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° | 73.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -150.68 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.74 | kJ/mol | Joback Calculated Property |
| log10WS | -5.48 | Crippen Calculated Property | |
| logPoct/wat | 4.068 | Crippen Calculated Property | |
| McVol | 210.810 | ml/mol | McGowan Calculated Property |
| Pc | 2402.92 | kPa | Joback Calculated Property |
| Inp | [2501.00; 2501.00] |
|
|
| Inp | 2501.00 | NIST | |
| Inp | 2501.00 | NIST | |
| Tboil | 792.25 | K | Joback Calculated Property |
| Tc | 1040.33 | K | Joback Calculated Property |
| Tfus | 497.59 | K | Joback Calculated Property |
| Vc | 0.791 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [580.92; 648.48] | J/mol×K | [792.25; 1040.33] |
|
| Cp,gas | 580.92 | J/mol×K | 792.25 | Joback Calculated Property |
| Cp,gas | 595.04 | J/mol×K | 833.60 | Joback Calculated Property |
| Cp,gas | 607.93 | J/mol×K | 874.94 | Joback Calculated Property |
| Cp,gas | 619.64 | J/mol×K | 916.29 | Joback Calculated Property |
| Cp,gas | 630.26 | J/mol×K | 957.64 | Joback Calculated Property |
| Cp,gas | 639.85 | J/mol×K | 998.99 | Joback Calculated Property |
| Cp,gas | 648.48 | J/mol×K | 1040.33 | Joback Calculated Property |
| η | [0.0001438; 0.0007242] | Pa×s | [497.59; 792.25] |
|
| η | 0.0007242 | Pa×s | 497.59 | Joback Calculated Property |
| η | 0.0004901 | Pa×s | 546.70 | Joback Calculated Property |
| η | 0.0003538 | Pa×s | 595.81 | Joback Calculated Property |
| η | 0.0002683 | Pa×s | 644.92 | Joback Calculated Property |
| η | 0.0002117 | Pa×s | 694.03 | Joback Calculated Property |
| η | 0.0001723 | Pa×s | 743.14 | Joback Calculated Property |
| η | 0.0001438 | Pa×s | 792.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to m-Anisic acid, 2-naphthyl ester.
Sources
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