- InChI
- InChI=1S/C11H14O3/c1-8(2)14-10-6-4-9(5-7-10)11(12)13-3/h4-8H,1-3H3
- InChI Key
- ROEMZKPINYTSKV-UHFFFAOYSA-N
- Formula
- C11H14O3
- SMILES
- COC(=O)c1ccc(OC(C)C)cc1
- Molecular Weight1
- 194.23
- 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° | -196.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -427.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.20 | kJ/mol | Joback Calculated Property |
| log10WS | -2.78 | Crippen Calculated Property | |
| logPoct/wat | 2.260 | Crippen Calculated Property | |
| McVol | 155.400 | ml/mol | McGowan Calculated Property |
| Pc | 2709.85 | kPa | Joback Calculated Property |
| Inp | 1497.00 | NIST | |
| Tboil | 581.01 | K | Joback Calculated Property |
| Tc | 793.47 | K | Joback Calculated Property |
| Tfus | 332.06 | K | Joback Calculated Property |
| Vc | 0.580 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [371.20; 445.46] | J/mol×K | [581.01; 793.47] | 
|
| Cp,gas | 371.20 | J/mol×K | 581.01 | Joback Calculated Property |
| Cp,gas | 385.45 | J/mol×K | 616.42 | Joback Calculated Property |
| Cp,gas | 398.95 | J/mol×K | 651.83 | Joback Calculated Property |
| Cp,gas | 411.70 | J/mol×K | 687.24 | Joback Calculated Property |
| Cp,gas | 423.70 | J/mol×K | 722.65 | Joback Calculated Property |
| Cp,gas | 434.96 | J/mol×K | 758.06 | Joback Calculated Property |
| Cp,gas | 445.46 | J/mol×K | 793.47 | Joback Calculated Property |
| η | [0.0001487; 0.0016320] | Pa×s | [332.06; 581.01] |
|
| η | 0.0016320 | Pa×s | 332.06 | Joback Calculated Property |
| η | 0.0008770 | Pa×s | 373.55 | Joback Calculated Property |
| η | 0.0005336 | Pa×s | 415.04 | Joback Calculated Property |
| η | 0.0003554 | Pa×s | 456.53 | Joback Calculated Property |
| η | 0.0002532 | Pa×s | 498.03 | Joback Calculated Property |
| η | 0.0001901 | Pa×s | 539.52 | Joback Calculated Property |
| η | 0.0001487 | Pa×s | 581.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 4-(isopropyl)oxy-, methyl ester.
Sources
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