- InChI
- InChI=1S/C17H11FO2/c18-15-8-5-13(6-9-15)17(19)20-16-10-7-12-3-1-2-4-14(12)11-16/h1-11H
- InChI Key
- XFEWKHXRJAPWJI-UHFFFAOYSA-N
- Formula
- C17H11FO2
- SMILES
-
O=C(Oc1ccc2ccccc2c1)c1ccc(F)cc
1 - Molecular Weight1
- 266.27
- CAS
- 90172-41-1
- Other Names
-
- 4-Fluorobenzoic acid, 2-naphthyl ester
- 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° | -24.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -193.93 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.29 | kJ/mol | Joback Calculated Property |
| log10WS | -5.69 | Crippen Calculated Property | |
| logPoct/wat | 4.198 | Crippen Calculated Property | |
| McVol | 192.620 | ml/mol | McGowan Calculated Property |
| Pc | 2571.50 | kPa | Joback Calculated Property |
| Inp | [2189.00; 2189.00] |
|
|
| Inp | 2189.00 | NIST | |
| Inp | 2189.00 | NIST | |
| Tboil | 746.22 | K | Joback Calculated Property |
| Tc | 992.54 | K | Joback Calculated Property |
| Tfus | 464.68 | K | Joback Calculated Property |
| Vc | 0.736 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [509.71; 575.55] | J/mol×K | [746.22; 992.54] |
|
| Cp,gas | 509.71 | J/mol×K | 746.22 | Joback Calculated Property |
| Cp,gas | 523.29 | J/mol×K | 787.27 | Joback Calculated Property |
| Cp,gas | 535.71 | J/mol×K | 828.33 | Joback Calculated Property |
| Cp,gas | 547.05 | J/mol×K | 869.38 | Joback Calculated Property |
| Cp,gas | 557.42 | J/mol×K | 910.43 | Joback Calculated Property |
| Cp,gas | 566.89 | J/mol×K | 951.48 | Joback Calculated Property |
| Cp,gas | 575.55 | J/mol×K | 992.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 4-fluoro-, 2-naphtyl ester.
Sources
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