- InChI
- InChI=1S/C22H29F5O4/c1-4-7-8-9-10-11-12-13-30-20(28)22(5-2,6-3)21(29)31-19-17(26)15(24)14(23)16(25)18(19)27/h4-13H2,1-3H3
- InChI Key
- RSXSDCHXYZAJRF-UHFFFAOYSA-N
- Formula
- C22H29F5O4
- SMILES
-
CCCCCCCCCOC(=O)C(CC)(CC)C(=O)O
c1c(F)c(F)c(F)c(F)c1F - Molecular Weight1
- 452.46
- 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° | -1240.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1797.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 58.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.08 | kJ/mol | Joback Calculated Property |
| log10WS | -7.92 | Crippen Calculated Property | |
| logPoct/wat | 6.388 | Crippen Calculated Property | |
| McVol | 320.810 | ml/mol | McGowan Calculated Property |
| Pc | 983.93 | kPa | Joback Calculated Property |
| Inp | 2182.00 | NIST | |
| Tboil | 900.04 | K | Joback Calculated Property |
| Tc | 1101.96 | K | Joback Calculated Property |
| Tfus | 576.41 | K | Joback Calculated Property |
| Vc | 1.286 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1030.98; 1104.64] | J/mol×K | [900.04; 1101.96] | 
|
| Cp,gas | 1030.98 | J/mol×K | 900.04 | Joback Calculated Property |
| Cp,gas | 1046.09 | J/mol×K | 933.69 | Joback Calculated Property |
| Cp,gas | 1060.03 | J/mol×K | 967.35 | Joback Calculated Property |
| Cp,gas | 1072.82 | J/mol×K | 1001.00 | Joback Calculated Property |
| Cp,gas | 1084.51 | J/mol×K | 1034.65 | Joback Calculated Property |
| Cp,gas | 1095.10 | J/mol×K | 1068.30 | Joback Calculated Property |
| Cp,gas | 1104.64 | J/mol×K | 1101.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, nonyl pentafluorophenyl ester.
Sources
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