- 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 |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [300.70; 357.91] | J/mol×K | [576.02; 802.51] |
|
| Cp,gas | 300.70 | J/mol×K | 576.02 | Joback Calculated Property |
| Cp,gas | 312.00 | J/mol×K | 613.77 | Joback Calculated Property |
| Cp,gas | 322.53 | J/mol×K | 651.52 | Joback Calculated Property |
| Cp,gas | 332.32 | J/mol×K | 689.27 | Joback Calculated Property |
| Cp,gas | 341.45 | J/mol×K | 727.02 | Joback Calculated Property |
| Cp,gas | 349.96 | J/mol×K | 764.76 | Joback Calculated Property |
| Cp,gas | 357.91 | J/mol×K | 802.51 | Joback Calculated Property |
| η | [0.0000387; 0.0012883] | Pa×s | [384.18; 576.02] |
|
| η | 0.0012883 | Pa×s | 384.18 | Joback Calculated Property |
| η | 0.0005740 | Pa×s | 416.15 | Joback Calculated Property |
| η | 0.0002870 | Pa×s | 448.13 | Joback Calculated Property |
| η | 0.0001574 | Pa×s | 480.10 | Joback Calculated Property |
| η | 0.0000930 | Pa×s | 512.07 | Joback Calculated Property |
| η | 0.0000585 | Pa×s | 544.05 | Joback Calculated Property |
| η | 0.0000387 | Pa×s | 576.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 2-hydroxy-6-methyl-, methyl ester.
Sources
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