- InChI
- InChI=1S/C9H10O3/c1-6-4-3-5-7(10)8(6)9(11)12-2/h3-5,10H,1-2H3
- InChI Key
- GPNCYIZKJTXKRO-UHFFFAOYSA-N
- Formula
- C9H10O3
- SMILES
- COC(=O)c1c(C)cccc1O
- Molecular Weight1
- 166.17
- CAS
- 33528-09-5
- Other Names
-
- 2,6-Cresotic acid, methyl ester
- Methyl 6-methylsalicylate
- 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).
- I : 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 | 0.6318 | Relay (1.0) Calculated Property | |
| ΔfG° | -337.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -486.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.15 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.41 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.487 | Crippen Calculated Property | |
| McVol | 127.220 | ml/mol | McGowan Calculated Property |
| Pc | 3848.31 | kPa | Joback Calculated Property |
| I | [1970.00; 1970.00] |
|
|
| I | 1970.00 | NIST | |
| I | 1970.00 | NIST | |
| Tboil | 515.66 | K | Relay (1.0) Calculated Property |
| Tc | 757.56 | K | Relay (1.0) Calculated Property |
| Tfus | 299.34 | K | Relay (1.0) Calculated Property |
| Vc | 0.445 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [174.92; 392.61] | 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 | -8.41000e+00 | |||
| Coefficient B | 8.20240e-01 | |||
| Coefficient C | -5.91720e-04 | |||
| Coefficient D | 1.72500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 174.92 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 215.35 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 250.45 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 280.75 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 306.82 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 329.19 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 348.40 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 365.02 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 379.57 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 392.61 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0012883; 0.0000463] | Pa×s | [384.18; 561.76] |
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 | -1.71770e+01 | |||
| Coefficient B | 4.04254e+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. | 384.18 | |||
| Temperature range, max. | 561.76 | |||
| η | 0.0012883 | Pa×s | 384.18 | Calculated Property |
| η | 0.0007705 | Pa×s | 403.91 | Calculated Property |
| η | 0.0004834 | Pa×s | 423.64 | Calculated Property |
| η | 0.0003162 | Pa×s | 443.37 | Calculated Property |
| η | 0.0002144 | Pa×s | 463.10 | Calculated Property |
| η | 0.0001501 | Pa×s | 482.84 | Calculated Property |
| η | 0.0001080 | Pa×s | 502.57 | Calculated Property |
| η | 0.0000797 | Pa×s | 522.30 | Calculated Property |
| η | 0.0000601 | Pa×s | 542.03 | Calculated Property |
| η | 0.0000463 | Pa×s | 561.76 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 2-hydroxy-6-methyl-, methyl ester.
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