- InChI
- InChI=1S/C31H47F5O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-39-29(37)31(5-2,6-3)30(38)40-28-26(35)24(33)23(32)25(34)27(28)36/h4-22H2,1-3H3
- InChI Key
- UQNAVIVIVJUNQY-UHFFFAOYSA-N
- Formula
- C31H47F5O4
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)C(CC)(
CC)C(=O)Oc1c(F)c(F)c(F)c(F)c1F - Molecular Weight1
- 578.69
- 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° | -1164.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1982.89 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 81.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.12 | kJ/mol | Joback Calculated Property |
| log10WS | -11.69 | Crippen Calculated Property | |
| logPoct/wat | 9.899 | Crippen Calculated Property | |
| McVol | 447.620 | ml/mol | McGowan Calculated Property |
| Pc | 609.06 | kPa | Joback Calculated Property |
| Inp | [3095.00; 3095.00] |
|
|
| Inp | 3095.00 | NIST | |
| Inp | 3095.00 | NIST | |
| Tboil | 1105.96 | K | Joback Calculated Property |
| Tc | 1407.69 | K | Joback Calculated Property |
| Tfus | 677.84 | K | Joback Calculated Property |
| Vc | 1.790 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1589.15; 1671.65] | J/mol×K | [1105.96; 1407.69] |
|
| Cp,gas | 1589.15 | J/mol×K | 1105.96 | Joback Calculated Property |
| Cp,gas | 1609.29 | J/mol×K | 1156.25 | Joback Calculated Property |
| Cp,gas | 1626.64 | J/mol×K | 1206.54 | Joback Calculated Property |
| Cp,gas | 1641.38 | J/mol×K | 1256.83 | Joback Calculated Property |
| Cp,gas | 1653.68 | J/mol×K | 1307.12 | Joback Calculated Property |
| Cp,gas | 1663.71 | J/mol×K | 1357.40 | Joback Calculated Property |
| Cp,gas | 1671.65 | J/mol×K | 1407.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, octadecyl pentafluorophenyl ester.
Sources
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