- InChI
- InChI=1S/C23H34F2O4/c1-2-3-4-5-6-7-8-9-10-11-16-28-22(26)14-15-23(27)29-18-19-17-20(24)12-13-21(19)25/h12-13,17H,2-11,14-16,18H2,1H3
- InChI Key
- NJZGUUVTOXYLEL-UHFFFAOYSA-N
- Formula
- C23H34F2O4
- SMILES
-
CCCCCCCCCCCCOC(=O)CCC(=O)OCc1c
c(F)ccc1F - Molecular Weight1
- 412.51
- 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° | -621.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1186.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 60.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.07 | kJ/mol | Joback Calculated Property |
| log10WS | -7.44 | Crippen Calculated Property | |
| logPoct/wat | 6.252 | Crippen Calculated Property | |
| McVol | 329.590 | ml/mol | McGowan Calculated Property |
| Pc | 1025.31 | kPa | Joback Calculated Property |
| Inp | [2711.00; 2711.00] |
|
|
| Inp | 2711.00 | NIST | |
| Inp | 2711.00 | NIST | |
| Tboil | 913.40 | K | Joback Calculated Property |
| Tc | 1118.29 | K | Joback Calculated Property |
| Tfus | 545.93 | K | Joback Calculated Property |
| Vc | 1.300 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1071.65; 1150.73] | J/mol×K | [913.40; 1118.29] |
|
| Cp,gas | 1071.65 | J/mol×K | 913.40 | Joback Calculated Property |
| Cp,gas | 1087.95 | J/mol×K | 947.55 | Joback Calculated Property |
| Cp,gas | 1102.97 | J/mol×K | 981.70 | Joback Calculated Property |
| Cp,gas | 1116.72 | J/mol×K | 1015.84 | Joback Calculated Property |
| Cp,gas | 1129.25 | J/mol×K | 1049.99 | Joback Calculated Property |
| Cp,gas | 1140.57 | J/mol×K | 1084.14 | Joback Calculated Property |
| Cp,gas | 1150.73 | J/mol×K | 1118.29 | Joback Calculated Property |
Similar Compounds
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Sources
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