- InChI
- InChI=1S/C17H22O4/c1-4-5-11-20-16(18)14-8-6-7-9-15(14)17(19)21-12-10-13(2)3/h6-9H,2,4-5,10-12H2,1,3H3
- InChI Key
- ARESCACWSBZMSC-UHFFFAOYSA-N
- Formula
- C17H22O4
- SMILES
-
C=C(C)CCOC(=O)c1ccccc1C(=O)OCC
CC - Molecular Weight1
- 290.35
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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° | -193.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -543.11 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.10 | kJ/mol | Joback Calculated Property |
| log10WS | -4.74 | Crippen Calculated Property | |
| logPoct/wat | 3.766 | Crippen Calculated Property | |
| McVol | 237.210 | ml/mol | McGowan Calculated Property |
| Pc | 1743.37 | kPa | Joback Calculated Property |
| Inp | 2048.00 | NIST | |
| Tboil | 769.16 | K | Joback Calculated Property |
| Tc | 974.46 | K | Joback Calculated Property |
| Tfus | 448.89 | K | Joback Calculated Property |
| Vc | 0.909 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [678.39; 754.03] | J/mol×K | [769.16; 974.46] | 
|
| Cp,gas | 678.39 | J/mol×K | 769.16 | Joback Calculated Property |
| Cp,gas | 693.45 | J/mol×K | 803.38 | Joback Calculated Property |
| Cp,gas | 707.50 | J/mol×K | 837.59 | Joback Calculated Property |
| Cp,gas | 720.57 | J/mol×K | 871.81 | Joback Calculated Property |
| Cp,gas | 732.66 | J/mol×K | 906.03 | Joback Calculated Property |
| Cp,gas | 743.81 | J/mol×K | 940.25 | Joback Calculated Property |
| Cp,gas | 754.03 | J/mol×K | 974.46 | Joback Calculated Property |
Similar Compounds
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Sources
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