- InChI
- InChI=1S/C10H12O3/c1-3-13-9-7-5-4-6-8(9)10(11)12-2/h4-7H,3H2,1-2H3
- InChI Key
- QAYQKAPOTVSWLS-UHFFFAOYSA-N
- Formula
- C10H12O3
- SMILES
- CCOc1ccccc1C(=O)OC
- Molecular Weight1
- 180.20
- CAS
- 3686-55-3
- Other Names
-
- Benzoic acid, o-ethoxy-, methyl ester
- Methyl o-ethoxybenzoate
- R 172 (The insectifuge)
- Methyl 2-ethoxybenzoate
- R 172
- 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° | -202.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -401.69 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.36 | kJ/mol | Joback Calculated Property |
| log10WS | -2.25 | Crippen Calculated Property | |
| logPoct/wat | 1.872 | Crippen Calculated Property | |
| McVol | 141.310 | ml/mol | McGowan Calculated Property |
| Pc | 2976.29 | kPa | Joback Calculated Property |
| Inp | [1347.00; 1394.00] |
|
|
| Inp | 1347.00 | NIST | |
| Inp | 1351.00 | NIST | |
| Inp | 1394.00 | NIST | |
| Tboil | 558.57 | K | Joback Calculated Property |
| Tc | 770.06 | K | Joback Calculated Property |
| Tfus | 335.79 | K | Joback Calculated Property |
| Vc | 0.529 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [323.98; 392.43] | J/mol×K | [558.57; 770.06] |
|
| Cp,gas | 323.98 | J/mol×K | 558.57 | Joback Calculated Property |
| Cp,gas | 337.02 | J/mol×K | 593.82 | Joback Calculated Property |
| Cp,gas | 349.42 | J/mol×K | 629.07 | Joback Calculated Property |
| Cp,gas | 361.16 | J/mol×K | 664.31 | Joback Calculated Property |
| Cp,gas | 372.24 | J/mol×K | 699.56 | Joback Calculated Property |
| Cp,gas | 382.66 | J/mol×K | 734.81 | Joback Calculated Property |
| Cp,gas | 392.43 | J/mol×K | 770.06 | Joback Calculated Property |
| η | [0.0001728; 0.0013400] | Pa×s | [335.79; 558.57] |
|
| η | 0.0013400 | Pa×s | 335.79 | Joback Calculated Property |
| η | 0.0008036 | Pa×s | 372.92 | Joback Calculated Property |
| η | 0.0005287 | Pa×s | 410.05 | Joback Calculated Property |
| η | 0.0003728 | Pa×s | 447.18 | Joback Calculated Property |
| η | 0.0002774 | Pa×s | 484.31 | Joback Calculated Property |
| η | 0.0002153 | Pa×s | 521.44 | Joback Calculated Property |
| η | 0.0001728 | Pa×s | 558.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 2-ethoxy-, methyl ester.
Sources
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