- InChI
- InChI=1S/C19H20O4/c1-13(2)14(3)22-18(20)10-11-19(21)23-17-9-8-15-6-4-5-7-16(15)12-17/h4-14H,1-3H3/b11-10+
- InChI Key
- AOQROGSMGOYKKL-ZHACJKMWSA-N
- Formula
- C19H20O4
- SMILES
-
CC(C)C(C)OC(=O)C=CC(=O)Oc1ccc2
ccccc2c1 - Molecular Weight1
- 312.36
- 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° | -73.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -402.30 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.96 | kJ/mol | Joback Calculated Property |
| log10WS | -5.11 | Crippen Calculated Property | |
| logPoct/wat | 3.889 | Crippen Calculated Property | |
| McVol | 245.930 | ml/mol | McGowan Calculated Property |
| Pc | 1856.31 | kPa | Joback Calculated Property |
| Inp | 2472.00 | NIST | |
| Tboil | 840.62 | K | Joback Calculated Property |
| Tc | 1067.69 | K | Joback Calculated Property |
| Tfus | 484.77 | K | Joback Calculated Property |
| Vc | 0.929 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [719.87; 790.35] | J/mol×K | [840.62; 1067.69] | 
|
| Cp,gas | 719.87 | J/mol×K | 840.62 | Joback Calculated Property |
| Cp,gas | 734.06 | J/mol×K | 878.47 | Joback Calculated Property |
| Cp,gas | 747.18 | J/mol×K | 916.31 | Joback Calculated Property |
| Cp,gas | 759.30 | J/mol×K | 954.16 | Joback Calculated Property |
| Cp,gas | 770.49 | J/mol×K | 992.00 | Joback Calculated Property |
| Cp,gas | 780.81 | J/mol×K | 1029.85 | Joback Calculated Property |
| Cp,gas | 790.35 | J/mol×K | 1067.69 | Joback Calculated Property |
| η | [0.0000901; 0.0008518] | Pa×s | [484.77; 840.62] |
|
| η | 0.0008518 | Pa×s | 484.77 | Joback Calculated Property |
| η | 0.0004777 | Pa×s | 544.08 | Joback Calculated Property |
| η | 0.0003001 | Pa×s | 603.39 | Joback Calculated Property |
| η | 0.0002049 | Pa×s | 662.69 | Joback Calculated Property |
| η | 0.0001490 | Pa×s | 722.00 | Joback Calculated Property |
| η | 0.0001137 | Pa×s | 781.31 | Joback Calculated Property |
| η | 0.0000901 | Pa×s | 840.62 | Joback Calculated Property |
Similar Compounds
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Sources
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