- InChI
- InChI=1S/C17H18O3/c1-12(2)19-15-6-4-5-7-16(15)20-17(18)14-10-8-13(3)9-11-14/h4-12H,1-3H3
- InChI Key
- OORVOCNTIXBHBB-UHFFFAOYSA-N
- Formula
- C17H18O3
- SMILES
-
Cc1ccc(C(=O)Oc2ccccc2OC(C)C)cc
1 - Molecular Weight1
- 270.32
- Other Names
-
- p-Toluylic acid, 2-isopropoxyphenyl ester
- 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° | -43.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -326.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.49 | kJ/mol | Joback Calculated Property |
| log10WS | -5.10 | Crippen Calculated Property | |
| logPoct/wat | 4.001 | Crippen Calculated Property | |
| McVol | 216.180 | ml/mol | McGowan Calculated Property |
| Pc | 2102.27 | kPa | Joback Calculated Property |
| Inp | [1925.90; 1925.90] |
|
|
| Inp | 1925.90 | NIST | |
| Inp | 1925.90 | NIST | |
| Tboil | 749.95 | K | Joback Calculated Property |
| Tc | 981.38 | K | Joback Calculated Property |
| Tfus | 438.62 | K | Joback Calculated Property |
| Vc | 0.807 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [598.01; 675.40] | J/mol×K | [749.95; 981.38] |
|
| Cp,gas | 598.01 | J/mol×K | 749.95 | Joback Calculated Property |
| Cp,gas | 613.94 | J/mol×K | 788.52 | Joback Calculated Property |
| Cp,gas | 628.62 | J/mol×K | 827.09 | Joback Calculated Property |
| Cp,gas | 642.09 | J/mol×K | 865.66 | Joback Calculated Property |
| Cp,gas | 654.35 | J/mol×K | 904.23 | Joback Calculated Property |
| Cp,gas | 665.45 | J/mol×K | 942.81 | Joback Calculated Property |
| Cp,gas | 675.40 | J/mol×K | 981.38 | Joback Calculated Property |
| η | [0.0000781; 0.0007599] | Pa×s | [438.62; 749.95] |
|
| η | 0.0007599 | Pa×s | 438.62 | Joback Calculated Property |
| η | 0.0004256 | Pa×s | 490.51 | Joback Calculated Property |
| η | 0.0002663 | Pa×s | 542.40 | Joback Calculated Property |
| η | 0.0001809 | Pa×s | 594.28 | Joback Calculated Property |
| η | 0.0001307 | Pa×s | 646.17 | Joback Calculated Property |
| η | 0.0000991 | Pa×s | 698.06 | Joback Calculated Property |
| η | 0.0000781 | Pa×s | 749.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to p-Toluic acid, 2-isopropoxyphenyl ester.
Sources
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