- InChI
- InChI=1S/C17H12O2/c18-17(14-8-2-1-3-9-14)19-16-12-6-10-13-7-4-5-11-15(13)16/h1-12H
- InChI Key
- KZWCTFLBFSWYHS-UHFFFAOYSA-N
- Formula
- C17H12O2
- SMILES
- O=C(Oc1cccc2ccccc12)c1ccccc1
- Molecular Weight1
- 248.28
- CAS
- 607-55-6
- Other Names
-
- 1-Naphthol, benzoate
- 1-Naphthyl benzoate
- Benzoic acid, 1-naphthyl ester
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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).
- 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° | 180.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 13.65 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.45 | kJ/mol | Joback Calculated Property |
| IE | 7.81 | eV | NIST |
| log10WS | -5.36 | Crippen Calculated Property | |
| logPoct/wat | 4.059 | Crippen Calculated Property | |
| McVol | 190.850 | ml/mol | McGowan Calculated Property |
| Pc | 2735.42 | kPa | Joback Calculated Property |
| Tboil | 741.97 | K | Joback Calculated Property |
| Tc | 998.93 | K | Joback Calculated Property |
| Tfus | 329.00 ± 0.50 | K | NIST |
| Vc | 0.718 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [503.24; 572.80] | J/mol×K | [741.97; 998.93] | 
|
| Cp,gas | 503.24 | J/mol×K | 741.97 | Joback Calculated Property |
| Cp,gas | 517.69 | J/mol×K | 784.80 | Joback Calculated Property |
| Cp,gas | 530.85 | J/mol×K | 827.62 | Joback Calculated Property |
| Cp,gas | 542.83 | J/mol×K | 870.45 | Joback Calculated Property |
| Cp,gas | 553.74 | J/mol×K | 913.27 | Joback Calculated Property |
| Cp,gas | 563.69 | J/mol×K | 956.10 | Joback Calculated Property |
| Cp,gas | 572.80 | J/mol×K | 998.93 | Joback Calculated Property |
| η | [0.0002020; 0.0011407] | Pa×s | [451.57; 741.97] |
|
| η | 0.0011407 | Pa×s | 451.57 | Joback Calculated Property |
| η | 0.0007434 | Pa×s | 499.97 | Joback Calculated Property |
| η | 0.0005225 | Pa×s | 548.37 | Joback Calculated Property |
| η | 0.0003888 | Pa×s | 596.77 | Joback Calculated Property |
| η | 0.0003025 | Pa×s | 645.17 | Joback Calculated Property |
| η | 0.0002437 | Pa×s | 693.57 | Joback Calculated Property |
| η | 0.0002020 | Pa×s | 741.97 | Joback Calculated Property |
| ΔfusH | [16.98; 16.98] | kJ/mol | [329.20; 329.20] |
|
| ΔfusH | 16.98 | kJ/mol | 329.20 | NIST |
| ΔfusH | 16.98 | kJ/mol | 329.20 | NIST |
Similar Compounds
Find more compounds similar to 1-Naphthalenol, benzoate.
Sources
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