- InChI
- InChI=1S/C12H10O2/c1-14-12(13)11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,1H3
- InChI Key
- IODOXLXFXNATGI-UHFFFAOYSA-N
- Formula
- C12H10O2
- SMILES
- COC(=O)c1ccc2ccccc2c1
- Molecular Weight1
- 186.21
- CAS
- 2459-25-8
- Other Names
-
- 2-Naphthoic acid, methyl ester
- Methyl 2-naphthalenecarboxylate
- Methyl 2-naphthoate
- 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).
- 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).
- 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 | 0.5374 | Relay (1.0) Calculated Property | |
| ΔfG° | -50.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -200.86 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.79 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.626 | Crippen Calculated Property | |
| McVol | 144.160 | ml/mol | McGowan Calculated Property |
| Pc | 3072.75 | kPa | Joback Calculated Property |
| Inp | [279.47; 1651.00] |
|
|
| Inp | 1651.00 | NIST | |
| Inp | 1646.00 | NIST | |
| Inp | 279.47 | NIST | |
| Inp | 279.47 | NIST | |
| Tboil | 578.20 | K | Relay (1.0) Calculated Property |
| Tc | 832.07 | K | Relay (1.0) Calculated Property |
| Tfus | 350.00 ± 0.10 | K | NIST |
| Vc | 0.531 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [333.43; 400.91] | J/mol×K | [583.02; 816.09] |
|
| Cp,gas | 333.43 | J/mol×K | 583.02 | Joback Calculated Property |
| Cp,gas | 347.09 | J/mol×K | 621.87 | Joback Calculated Property |
| Cp,gas | 359.71 | J/mol×K | 660.71 | Joback Calculated Property |
| Cp,gas | 371.35 | J/mol×K | 699.56 | Joback Calculated Property |
| Cp,gas | 382.06 | J/mol×K | 738.40 | Joback Calculated Property |
| Cp,gas | 391.89 | J/mol×K | 777.25 | Joback Calculated Property |
| Cp,gas | 400.91 | J/mol×K | 816.09 | Joback Calculated Property |
| η | [0.0002638; 0.0017128] | Pa×s | [338.97; 583.02] |
|
| η | 0.0017128 | Pa×s | 338.97 | Joback Calculated Property |
| η | 0.0010612 | Pa×s | 379.65 | Joback Calculated Property |
| η | 0.0007213 | Pa×s | 420.32 | Joback Calculated Property |
| η | 0.0005248 | Pa×s | 461.00 | Joback Calculated Property |
| η | 0.0004021 | Pa×s | 501.67 | Joback Calculated Property |
| η | 0.0003206 | Pa×s | 542.35 | Joback Calculated Property |
| η | 0.0002638 | Pa×s | 583.02 | Joback Calculated Property |
| ΔfusH | 27.10 | kJ/mol | 350.20 | NIST |
Similar Compounds
Find more compounds similar to 2-Naphthalenecarboxylic acid, methyl ester.
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