- InChI
- InChI=1S/C21H30F2O4/c1-2-3-14-26-20(24)10-8-6-4-5-7-9-11-21(25)27-16-17-15-18(22)12-13-19(17)23/h12-13,15H,2-11,14,16H2,1H3
- InChI Key
- AVMXKOIZTSMTDR-UHFFFAOYSA-N
- Formula
- C21H30F2O4
- SMILES
-
CCCCOC(=O)CCCCCCCCC(=O)OCc1cc(
F)ccc1F - Molecular Weight1
- 384.46
- 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° | -638.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1145.00 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 55.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.62 | kJ/mol | Joback Calculated Property |
| log10WS | -6.60 | Crippen Calculated Property | |
| logPoct/wat | 5.472 | Crippen Calculated Property | |
| McVol | 301.410 | ml/mol | McGowan Calculated Property |
| Pc | 1164.04 | kPa | Joback Calculated Property |
| Inp | [2530.00; 2530.00] |
|
|
| Inp | 2530.00 | NIST | |
| Inp | 2530.00 | NIST | |
| Tboil | 867.64 | K | Joback Calculated Property |
| Tc | 1064.57 | K | Joback Calculated Property |
| Tfus | 523.39 | K | Joback Calculated Property |
| Vc | 1.188 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [951.07; 1028.36] | J/mol×K | [867.64; 1064.57] |
|
| Cp,gas | 951.07 | J/mol×K | 867.64 | Joback Calculated Property |
| Cp,gas | 966.71 | J/mol×K | 900.46 | Joback Calculated Property |
| Cp,gas | 981.22 | J/mol×K | 933.28 | Joback Calculated Property |
| Cp,gas | 994.62 | J/mol×K | 966.10 | Joback Calculated Property |
| Cp,gas | 1006.93 | J/mol×K | 998.92 | Joback Calculated Property |
| Cp,gas | 1018.17 | J/mol×K | 1031.75 | Joback Calculated Property |
| Cp,gas | 1028.36 | J/mol×K | 1064.57 | Joback Calculated Property |
Similar Compounds
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Sources
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