- InChI
- InChI=1S/C18H14O2/c1-13-5-4-8-16(11-13)18(19)20-17-10-9-14-6-2-3-7-15(14)12-17/h2-12H,1H3
- InChI Key
- JZRSAUUYXPWGAG-UHFFFAOYSA-N
- Formula
- C18H14O2
- SMILES
-
Cc1cccc(C(=O)Oc2ccc3ccccc3c2)c
1 - Molecular Weight1
- 262.31
- Other Names
-
- m-Toluylic acid, 2-naphthyl ester
- 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).
- 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 | 0.6826 | Relay (1.0) Calculated Property | |
| ΔfG° | 102.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -107.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.83 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.77 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.367 | Crippen Calculated Property | |
| McVol | 204.940 | ml/mol | McGowan Calculated Property |
| Pc | 2347.36 | kPa | Joback Calculated Property |
| Inp | [2354.00; 2354.00] |
|
|
| Inp | 2354.00 | NIST | |
| Inp | 2354.00 | NIST | |
| Tboil | 671.01 | K | Relay (1.0) Calculated Property |
| Tc | 970.73 | K | Relay (1.0) Calculated Property |
| Tfus | 364.21 | K | Relay (1.0) Calculated Property |
| Vc | 0.755 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [253.26; 622.16] | 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 | -5.87200e+01 | |||
| Coefficient B | 1.37852e+00 | |||
| Coefficient C | -9.25840e-04 | |||
| Coefficient D | 2.28200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 253.26 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 323.20 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 384.22 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 437.03 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 482.37 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 520.96 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 553.51 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 580.74 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 603.39 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 622.16 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0010576; 0.0001951] | Pa×s | [445.53; 701.89] |
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 | -1.14795e+01 | |||
| Coefficient B | 2.06180e+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. | 445.53 | |||
| Temperature range, max. | 701.89 | |||
| η | 0.0010576 | Pa×s | 445.53 | Calculated Property |
| η | 0.0008009 | Pa×s | 474.01 | Calculated Property |
| η | 0.0006259 | Pa×s | 502.50 | Calculated Property |
| η | 0.0005022 | Pa×s | 530.98 | Calculated Property |
| η | 0.0004121 | Pa×s | 559.47 | Calculated Property |
| η | 0.0003447 | Pa×s | 587.95 | Calculated Property |
| η | 0.0002932 | Pa×s | 616.44 | Calculated Property |
| η | 0.0002529 | Pa×s | 644.92 | Calculated Property |
| η | 0.0002209 | Pa×s | 673.41 | Calculated Property |
| η | 0.0001951 | Pa×s | 701.89 | Calculated Property |
Similar Compounds
Find more compounds similar to m-Toluic acid, 2-naphthyl ester.
Sources
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