- InChI
- InChI=1S/C10H12O2/c1-7-4-5-9(8(2)6-7)10(11)12-3/h4-6H,1-3H3
- InChI Key
- QQCLNRPRQRDMCK-UHFFFAOYSA-N
- Formula
- C10H12O2
- SMILES
- COC(=O)c1ccc(C)cc1C
- Molecular Weight1
- 164.20
- CAS
- 23617-71-2
- Other Names
-
- Methyl 2,4-dimethylbenzoate
- 2,4-(CH3)2-C6H3-COOCH3
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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.
- 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 | 0.5268 | Relay (1.0) Calculated Property | |
| PAff | 868.20 | kJ/mol | NIST |
| BasG | 837.20 | kJ/mol | NIST |
| ΔfG° | -183.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -341.32 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.58 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.98 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.090 | Crippen Calculated Property | |
| McVol | 135.440 | ml/mol | McGowan Calculated Property |
| Pc | 2853.57 | kPa | Joback Calculated Property |
| Inp | [220.82; 1295.00] |
|
|
| Inp | 1295.00 | NIST | |
| Inp | 220.82 | NIST | |
| I | 1821.00 | NIST | |
| Tboil | 505.70 | K | NIST |
| Tc | 720.63 | K | Relay (1.0) Calculated Property |
| Tfus | 268.31 | K | Relay (1.0) Calculated Property |
| Vc | 0.501 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [296.21; 365.53] | J/mol×K | [523.26; 735.49] |
|
| Cp,gas | 296.21 | J/mol×K | 523.26 | Joback Calculated Property |
| Cp,gas | 309.48 | J/mol×K | 558.63 | Joback Calculated Property |
| Cp,gas | 322.06 | J/mol×K | 594.00 | Joback Calculated Property |
| Cp,gas | 333.94 | J/mol×K | 629.38 | Joback Calculated Property |
| Cp,gas | 345.14 | J/mol×K | 664.75 | Joback Calculated Property |
| Cp,gas | 355.67 | J/mol×K | 700.12 | Joback Calculated Property |
| Cp,gas | 365.53 | J/mol×K | 735.49 | Joback Calculated Property |
| η | [0.0001863; 0.0018634] | Pa×s | [296.25; 523.26] |
|
| η | 0.0018634 | Pa×s | 296.25 | Joback Calculated Property |
| η | 0.0010215 | Pa×s | 334.08 | Joback Calculated Property |
| η | 0.0006328 | Pa×s | 371.92 | Joback Calculated Property |
| η | 0.0004282 | Pa×s | 409.75 | Joback Calculated Property |
| η | 0.0003096 | Pa×s | 447.59 | Joback Calculated Property |
| η | 0.0002354 | Pa×s | 485.43 | Joback Calculated Property |
| η | 0.0001863 | Pa×s | 523.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 2,4-dimethyl-, methyl ester.
Sources
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