- InChI
- InChI=1S/C25H39FO4/c1-2-3-4-5-6-7-8-9-10-11-12-19-29-24(27)17-14-18-25(28)30-21-22-15-13-16-23(26)20-22/h13,15-16,20H,2-12,14,17-19,21H2,1H3
- InChI Key
- XQORPCDSMFACAN-UHFFFAOYSA-N
- Formula
- C25H39FO4
- SMILES
-
CCCCCCCCCCCCCOC(=O)CCCC(=O)OCc
1cccc(F)c1 - Molecular Weight1
- 422.57
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 1.1545 | Relay (1.0) Calculated Property | |
| ΔfG° | -400.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1120.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 62.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 120.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.97 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.89 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.893 | Crippen Calculated Property | |
| McVol | 356.000 | ml/mol | McGowan Calculated Property |
| Pc | 943.84 | kPa | Joback Calculated Property |
| Inp | [2999.00; 2999.00] |
|
|
| Inp | 2999.00 | NIST | |
| Inp | 2999.00 | NIST | |
| Tboil | 672.72 | K | Relay (1.0) Calculated Property |
| Tc | 860.13 | K | Relay (1.0) Calculated Property |
| Tfus | 294.39 | K | Relay (1.0) Calculated Property |
| Vc | 1.346 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1188.22; 1270.46] | J/mol×K | [954.91; 1169.45] |
|
| Cp,gas | 1188.22 | J/mol×K | 954.91 | Joback Calculated Property |
| Cp,gas | 1205.40 | J/mol×K | 990.67 | Joback Calculated Property |
| Cp,gas | 1221.13 | J/mol×K | 1026.42 | Joback Calculated Property |
| Cp,gas | 1235.46 | J/mol×K | 1062.18 | Joback Calculated Property |
| Cp,gas | 1248.43 | J/mol×K | 1097.94 | Joback Calculated Property |
| Cp,gas | 1260.08 | J/mol×K | 1133.69 | Joback Calculated Property |
| Cp,gas | 1270.46 | J/mol×K | 1169.45 | Joback Calculated Property |
Similar Compounds
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Sources
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