- 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 |
|---|---|---|---|---|
| ΔfusH | 27.10 | kJ/mol | 350.20 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [180.68; 434.18] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -3.36600e+01 | |||
| Coefficient B | 9.46920e-01 | |||
| Coefficient C | -6.35280e-04 | |||
| Coefficient D | 1.56200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 180.68 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 228.74 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 270.68 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 306.99 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 338.15 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 364.67 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 387.04 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 405.75 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 421.30 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 434.18 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0014878; 0.0002783] | Pa×s | [350.00; 571.26] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.08381e+01 | |||
| Coefficient B | 1.51468e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 350.00 | |||
| Temperature range, max. | 571.26 | |||
| η | 0.0014878 | Pa×s | 350.00 | Calculated Property |
| η | 0.0011199 | Pa×s | 374.58 | Calculated Property |
| η | 0.0008730 | Pa×s | 399.17 | Calculated Property |
| η | 0.0007005 | Pa×s | 423.75 | Calculated Property |
| η | 0.0005758 | Pa×s | 448.34 | Calculated Property |
| η | 0.0004831 | Pa×s | 472.92 | Calculated Property |
| η | 0.0004124 | Pa×s | 497.51 | Calculated Property |
| η | 0.0003573 | Pa×s | 522.09 | Calculated Property |
| η | 0.0003136 | Pa×s | 546.68 | Calculated Property |
| η | 0.0002783 | Pa×s | 571.26 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Naphthalenecarboxylic acid, methyl ester.
Sources
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