- InChI
- InChI=1S/C22H26O4/c23-21(25-19-13-7-5-8-14-19)17-11-3-1-2-4-12-18-22(24)26-20-15-9-6-10-16-20/h5-10,13-16H,1-4,11-12,17-18H2
- InChI Key
- ODVYFOLTLWONHF-UHFFFAOYSA-N
- Formula
- C22H26O4
- SMILES
-
O=C(CCCCCCCCC(=O)Oc1ccccc1)Oc1
ccccc1 - Molecular Weight1
- 354.44
- 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° | -108.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -513.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.43 | kJ/mol | Joback Calculated Property |
| log10WS | -6.26 | Crippen Calculated Property | |
| logPoct/wat | 5.318 | Crippen Calculated Property | |
| McVol | 288.200 | ml/mol | McGowan Calculated Property |
| Pc | 1506.98 | kPa | Joback Calculated Property |
| Inp | 2936.00 | NIST | |
| Tboil | 908.70 | K | Joback Calculated Property |
| Tc | 1129.57 | K | Joback Calculated Property |
| Tfus | 534.86 | K | Joback Calculated Property |
| Vc | 1.099 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [898.88; 966.97] | J/mol×K | [908.70; 1129.57] | 
|
| Cp,gas | 898.88 | J/mol×K | 908.70 | Joback Calculated Property |
| Cp,gas | 913.32 | J/mol×K | 945.51 | Joback Calculated Property |
| Cp,gas | 926.46 | J/mol×K | 982.32 | Joback Calculated Property |
| Cp,gas | 938.34 | J/mol×K | 1019.14 | Joback Calculated Property |
| Cp,gas | 949.02 | J/mol×K | 1055.95 | Joback Calculated Property |
| Cp,gas | 958.54 | J/mol×K | 1092.76 | Joback Calculated Property |
| Cp,gas | 966.97 | J/mol×K | 1129.57 | Joback Calculated Property |
| η | [0.0000417; 0.0004828] | Pa×s | [534.86; 908.70] |
|
| η | 0.0004828 | Pa×s | 534.86 | Joback Calculated Property |
| η | 0.0002594 | Pa×s | 597.17 | Joback Calculated Property |
| η | 0.0001567 | Pa×s | 659.47 | Joback Calculated Property |
| η | 0.0001033 | Pa×s | 721.78 | Joback Calculated Property |
| η | 0.0000727 | Pa×s | 784.09 | Joback Calculated Property |
| η | 0.0000539 | Pa×s | 846.39 | Joback Calculated Property |
| η | 0.0000417 | Pa×s | 908.70 | Joback Calculated Property |
Similar Compounds
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Sources
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