- InChI
- InChI=1S/C10H12O2/c1-8(2)12-10(11)9-6-4-3-5-7-9/h3-8H,1-2H3
- InChI Key
- FEXQDZTYJVXMOS-UHFFFAOYSA-N
- Formula
- C10H12O2
- SMILES
- CC(C)OC(=O)c1ccccc1
- Molecular Weight1
- 164.20
- CAS
- 939-48-0
- Other Names
-
- Benzoic acid, isopropyl ester
- Isopropyl benzoate
- Isopropylester kyseliny benzoove
- 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.
- 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 |
|---|---|---|---|
| ΔfG° | -90.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -263.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.90 | kJ/mol | Joback Calculated Property |
| log10WS | -2.66 | Crippen Calculated Property | |
| logPoct/wat | 2.252 | Crippen Calculated Property | |
| McVol | 135.440 | ml/mol | McGowan Calculated Property |
| Pc | 3110.57 | kPa | Joback Calculated Property |
| Inp | [1172.00; 1223.00] |
|
|
| Inp | 1223.00 | NIST | |
| Inp | 1172.00 | NIST | |
| Inp | 1185.00 | NIST | |
| Inp | 1192.00 | NIST | |
| Inp | 1194.00 | NIST | |
| Inp | 1205.00 | NIST | |
| Inp | 1217.00 | NIST | |
| Inp | 1207.20 | NIST | |
| Inp | 1212.70 | NIST | |
| Inp | 1223.00 | NIST | |
| Inp | 1216.70 | NIST | |
| Inp | 1219.70 | NIST | |
| Inp | 1191.00 | NIST | |
| Inp | 1183.00 | NIST | |
| Inp | 1186.00 | NIST | |
| Inp | 1189.00 | NIST | |
| Inp | 1177.00 | NIST | |
| Inp | 1193.00 | NIST | |
| Inp | 1223.00 | NIST | |
| Inp | 1189.00 | NIST | |
| Inp | 1217.00 | NIST | |
| Inp | 1219.70 | NIST | |
| Inp | 1223.00 | NIST | |
| Inp | 1205.00 | NIST | |
| I | [1639.00; 1704.00] |
|
|
| I | 1684.00 | NIST | |
| I | 1676.00 | NIST | |
| I | 1683.00 | NIST | |
| I | 1704.00 | NIST | |
| I | 1690.00 | NIST | |
| I | 1649.00 | NIST | |
| I | 1685.00 | NIST | |
| I | 1660.00 | NIST | |
| I | 1669.00 | NIST | |
| I | 1657.00 | NIST | |
| I | 1639.00 | NIST | |
| I | 1684.00 | NIST | |
| Tboil | [491.00; 491.65] | K |
|
| Tboil | 491.20 | K | NIST |
| Tboil | 491.00 | K | NIST |
| Tboil | 491.50 ± 0.50 | K | NIST |
| Tboil | 491.65 ± 1.00 | K | NIST |
| Tc | 748.19 | K | Joback Calculated Property |
| Tfus | 286.04 | K | Joback Calculated Property |
| Vc | 0.505 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [300.78; 372.90] | J/mol×K | [530.73; 748.19] |
|
| Cp,gas | 300.78 | J/mol×K | 530.73 | Joback Calculated Property |
| Cp,gas | 314.76 | J/mol×K | 566.97 | Joback Calculated Property |
| Cp,gas | 327.92 | J/mol×K | 603.22 | Joback Calculated Property |
| Cp,gas | 340.30 | J/mol×K | 639.46 | Joback Calculated Property |
| Cp,gas | 351.91 | J/mol×K | 675.70 | Joback Calculated Property |
| Cp,gas | 362.77 | J/mol×K | 711.95 | Joback Calculated Property |
| Cp,gas | 372.90 | J/mol×K | 748.19 | Joback Calculated Property |
| η | [0.0002037; 0.0031130] | Pa×s | [286.04; 530.73] |
|
| η | 0.0031130 | Pa×s | 286.04 | Joback Calculated Property |
| η | 0.0014883 | Pa×s | 326.82 | Joback Calculated Property |
| η | 0.0008382 | Pa×s | 367.60 | Joback Calculated Property |
| η | 0.0005294 | Pa×s | 408.38 | Joback Calculated Property |
| η | 0.0003634 | Pa×s | 449.17 | Joback Calculated Property |
| η | 0.0002656 | Pa×s | 489.95 | Joback Calculated Property |
| η | 0.0002037 | Pa×s | 530.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 1-methylethyl ester.
Sources
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