- InChI
- InChI=1S/C11H14O2/c1-4-13-11(12)10-6-5-8(2)9(3)7-10/h5-7H,4H2,1-3H3
- InChI Key
- GTXUIKILNLXONM-UHFFFAOYSA-N
- Formula
- C11H14O2
- SMILES
- CCOC(=O)c1ccc(C)c(C)c1
- Molecular Weight1
- 178.23
- CAS
- 33499-44-4
- Other Names
-
- Ethyl 3,4-dimethylbenzoate
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -99.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -301.58 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.84 | kJ/mol | Joback Calculated Property |
| log10WS | -3.08 | Crippen Calculated Property | |
| logPoct/wat | 2.480 | Crippen Calculated Property | |
| McVol | 149.530 | ml/mol | McGowan Calculated Property |
| Pc | 2693.00 | kPa | Joback Calculated Property |
| Inp | [1385.00; 1432.00] |
|
|
| Inp | 1432.00 | NIST | |
| Inp | 1385.00 | NIST | |
| Inp | 1432.00 | NIST | |
| Inp | 1385.00 | NIST | |
| Tboil | 564.01 | K | Joback Calculated Property |
| Tc | 775.37 | K | Joback Calculated Property |
| Tfus | 337.35 | K | Joback Calculated Property |
| Vc | 0.568 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [345.82; 418.63] | J/mol×K | [564.01; 775.37] |
|
| Cp,gas | 345.82 | J/mol×K | 564.01 | Joback Calculated Property |
| Cp,gas | 359.69 | J/mol×K | 599.24 | Joback Calculated Property |
| Cp,gas | 372.86 | J/mol×K | 634.46 | Joback Calculated Property |
| Cp,gas | 385.33 | J/mol×K | 669.69 | Joback Calculated Property |
| Cp,gas | 397.11 | J/mol×K | 704.92 | Joback Calculated Property |
| Cp,gas | 408.21 | J/mol×K | 740.15 | Joback Calculated Property |
| Cp,gas | 418.63 | J/mol×K | 775.37 | Joback Calculated Property |
| η | [0.0001909; 0.0013555] | Pa×s | [337.35; 564.01] |
|
| η | 0.0013555 | Pa×s | 337.35 | Joback Calculated Property |
| η | 0.0008295 | Pa×s | 375.13 | Joback Calculated Property |
| η | 0.0005553 | Pa×s | 412.90 | Joback Calculated Property |
| η | 0.0003976 | Pa×s | 450.68 | Joback Calculated Property |
| η | 0.0002998 | Pa×s | 488.46 | Joback Calculated Property |
| η | 0.0002354 | Pa×s | 526.23 | Joback Calculated Property |
| η | 0.0001909 | Pa×s | 564.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 3,4-dimethyl-, ethyl ester.
Sources
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