- InChI
- InChI=1S/C17H18O3/c1-13(2)19-15-10-6-7-11-16(15)20-17(18)12-14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3
- InChI Key
- BQBVAVUPDGTGNP-UHFFFAOYSA-N
- Formula
- C17H18O3
- SMILES
- CC(C)Oc1ccccc1OC(=O)Cc1ccccc1
- Molecular Weight1
- 270.32
- 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° | -33.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -314.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.83 | kJ/mol | Joback Calculated Property |
| log10WS | -4.47 | Crippen Calculated Property | |
| logPoct/wat | 3.622 | Crippen Calculated Property | |
| McVol | 216.180 | ml/mol | McGowan Calculated Property |
| Pc | 2131.49 | kPa | Joback Calculated Property |
| Inp | [2045.00; 2045.00] |
|
|
| Inp | 2045.00 | NIST | |
| Inp | 2045.00 | NIST | |
| Tboil | 744.97 | K | Joback Calculated Property |
| Tc | 975.62 | K | Joback Calculated Property |
| Tfus | 426.10 | K | Joback Calculated Property |
| Vc | 0.807 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [598.97; 677.03] | J/mol×K | [744.97; 975.62] |
|
| Cp,gas | 598.97 | J/mol×K | 744.97 | Joback Calculated Property |
| Cp,gas | 615.03 | J/mol×K | 783.41 | Joback Calculated Property |
| Cp,gas | 629.83 | J/mol×K | 821.85 | Joback Calculated Property |
| Cp,gas | 643.39 | J/mol×K | 860.30 | Joback Calculated Property |
| Cp,gas | 655.76 | J/mol×K | 898.74 | Joback Calculated Property |
| Cp,gas | 666.96 | J/mol×K | 937.18 | Joback Calculated Property |
| Cp,gas | 677.03 | J/mol×K | 975.62 | Joback Calculated Property |
| η | [0.0000778; 0.0009165] | Pa×s | [426.10; 744.97] |
|
| η | 0.0009165 | Pa×s | 426.10 | Joback Calculated Property |
| η | 0.0004838 | Pa×s | 479.25 | Joback Calculated Property |
| η | 0.0002901 | Pa×s | 532.39 | Joback Calculated Property |
| η | 0.0001909 | Pa×s | 585.54 | Joback Calculated Property |
| η | 0.0001347 | Pa×s | 638.68 | Joback Calculated Property |
| η | 0.0001002 | Pa×s | 691.83 | Joback Calculated Property |
| η | 0.0000778 | Pa×s | 744.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phenylacetic acid, 2-isopropoxyphenyl ester.
Sources
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