- InChI
- InChI=1S/C29H38F2O4/c1-2-3-4-5-6-7-8-9-10-11-12-15-20-34-28(32)25-16-13-14-17-26(25)29(33)35-22-23-21-24(30)18-19-27(23)31/h13-14,16-19,21H,2-12,15,20,22H2,1H3
- InChI Key
- NSBKTKYUMWKVCL-UHFFFAOYSA-N
- Formula
- C29H38F2O4
- SMILES
-
CCCCCCCCCCCCCCOC(=O)c1ccccc1C(
=O)OCc1cc(F)ccc1F - Molecular Weight1
- 488.61
- 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° | -468.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1085.06 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 69.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.36 | kJ/mol | Joback Calculated Property |
| log10WS | -10.17 | Crippen Calculated Property | |
| logPoct/wat | 8.180 | Crippen Calculated Property | |
| McVol | 390.370 | ml/mol | McGowan Calculated Property |
| Pc | 873.77 | kPa | Joback Calculated Property |
| Inp | [3247.00; 3247.00] |
|
|
| Inp | 3247.00 | NIST | |
| Inp | 3247.00 | NIST | |
| Tboil | 1082.34 | K | Joback Calculated Property |
| Tc | 1330.36 | K | Joback Calculated Property |
| Tfus | 652.49 | K | Joback Calculated Property |
| Vc | 1.528 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1332.99; 1393.76] | J/mol×K | [1082.34; 1330.36] |
|
| Cp,gas | 1332.99 | J/mol×K | 1082.34 | Joback Calculated Property |
| Cp,gas | 1347.42 | J/mol×K | 1123.68 | Joback Calculated Property |
| Cp,gas | 1360.02 | J/mol×K | 1165.01 | Joback Calculated Property |
| Cp,gas | 1370.87 | J/mol×K | 1206.35 | Joback Calculated Property |
| Cp,gas | 1380.06 | J/mol×K | 1247.69 | Joback Calculated Property |
| Cp,gas | 1387.66 | J/mol×K | 1289.02 | Joback Calculated Property |
| Cp,gas | 1393.76 | J/mol×K | 1330.36 | Joback Calculated Property |
Similar Compounds
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Sources
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