- InChI
- InChI=1S/C25H35F5O4/c1-2-3-4-5-6-7-8-9-13-16-33-19(31)14-11-10-12-15-20(32)34-17-18-21(26)23(28)25(30)24(29)22(18)27/h2-17H2,1H3
- InChI Key
- YWACDJTYGUZHAF-UHFFFAOYSA-N
- Formula
- C25H35F5O4
- SMILES
-
CCCCCCCCCCCOC(=O)CCCCCC(=O)OCc
1c(F)c(F)c(F)c(F)c1F - Molecular Weight1
- 494.54
- 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° | -1218.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1850.30 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 73.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.06 | kJ/mol | Joback Calculated Property |
| log10WS | -9.27 | Crippen Calculated Property | |
| logPoct/wat | 7.450 | Crippen Calculated Property | |
| McVol | 363.080 | ml/mol | McGowan Calculated Property |
| Pc | 818.66 | kPa | Joback Calculated Property |
| Inp | [2952.00; 2952.00] |
|
|
| Inp | 2952.00 | NIST | |
| Inp | 2952.00 | NIST | |
| Tboil | 971.91 | K | Joback Calculated Property |
| Tc | 1200.48 | K | Joback Calculated Property |
| Tfus | 607.80 | K | Joback Calculated Property |
| Vc | 1.466 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1213.15; 1289.35] | J/mol×K | [971.91; 1200.48] |
|
| Cp,gas | 1213.15 | J/mol×K | 971.91 | Joback Calculated Property |
| Cp,gas | 1230.03 | J/mol×K | 1010.01 | Joback Calculated Property |
| Cp,gas | 1245.20 | J/mol×K | 1048.10 | Joback Calculated Property |
| Cp,gas | 1258.69 | J/mol×K | 1086.20 | Joback Calculated Property |
| Cp,gas | 1270.52 | J/mol×K | 1124.29 | Joback Calculated Property |
| Cp,gas | 1280.73 | J/mol×K | 1162.39 | Joback Calculated Property |
| Cp,gas | 1289.35 | J/mol×K | 1200.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, pentafluorobenzyl undecyl ester.
Sources
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