- InChI
- InChI=1S/C23H28O4/c1-5-23(6-2,21(24)26-15-19-11-7-9-17(3)13-19)22(25)27-16-20-12-8-10-18(4)14-20/h7-14H,5-6,15-16H2,1-4H3
- InChI Key
- QOPXANGJMHGWKZ-UHFFFAOYSA-N
- Formula
- C23H28O4
- SMILES
-
CCC(CC)(C(=O)OCc1cccc(C)c1)C(=
O)OCc1cccc(C)c1 - Molecular Weight1
- 368.47
- 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° | -116.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -566.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.68 | kJ/mol | Joback Calculated Property |
| log10WS | -6.24 | Crippen Calculated Property | |
| logPoct/wat | 4.896 | Crippen Calculated Property | |
| McVol | 302.290 | ml/mol | McGowan Calculated Property |
| Pc | 1389.18 | kPa | Joback Calculated Property |
| Inp | [2518.00; 2518.00] |
|
|
| Inp | 2518.00 | NIST | |
| Inp | 2518.00 | NIST | |
| Tboil | 938.31 | K | Joback Calculated Property |
| Tc | 1166.48 | K | Joback Calculated Property |
| Tfus | 573.59 | K | Joback Calculated Property |
| Vc | 1.145 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [956.39; 1025.04] | J/mol×K | [938.31; 1166.48] |
|
| Cp,gas | 956.39 | J/mol×K | 938.31 | Joback Calculated Property |
| Cp,gas | 970.93 | J/mol×K | 976.34 | Joback Calculated Property |
| Cp,gas | 984.13 | J/mol×K | 1014.37 | Joback Calculated Property |
| Cp,gas | 996.08 | J/mol×K | 1052.39 | Joback Calculated Property |
| Cp,gas | 1006.83 | J/mol×K | 1090.42 | Joback Calculated Property |
| Cp,gas | 1016.46 | J/mol×K | 1128.45 | Joback Calculated Property |
| Cp,gas | 1025.04 | J/mol×K | 1166.48 | Joback Calculated Property |
| η | [0.0000288; 0.0002918] | Pa×s | [573.59; 938.31] |
|
| η | 0.0002918 | Pa×s | 573.59 | Joback Calculated Property |
| η | 0.0001649 | Pa×s | 634.38 | Joback Calculated Property |
| η | 0.0001029 | Pa×s | 695.16 | Joback Calculated Property |
| η | 0.0000693 | Pa×s | 755.95 | Joback Calculated Property |
| η | 0.0000495 | Pa×s | 816.74 | Joback Calculated Property |
| η | 0.0000371 | Pa×s | 877.52 | Joback Calculated Property |
| η | 0.0000288 | Pa×s | 938.31 | Joback Calculated Property |
Similar Compounds
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Sources
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