- InChI
- InChI=1S/C20H25F5O4/c1-2-3-12-28-13(26)10-8-6-4-5-7-9-11-14(27)29-20-18(24)16(22)15(21)17(23)19(20)25/h2-12H2,1H3
- InChI Key
- MBTKEISGVVVVMC-UHFFFAOYSA-N
- Formula
- C20H25F5O4
- SMILES
-
CCCCOC(=O)CCCCCCCCC(=O)Oc1c(F)
c(F)c(F)c(F)c1F - Molecular Weight1
- 424.40
- 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° | -1260.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1747.10 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 60.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.93 | kJ/mol | Joback Calculated Property |
| log10WS | -7.33 | Crippen Calculated Property | |
| logPoct/wat | 5.752 | Crippen Calculated Property | |
| McVol | 292.630 | ml/mol | McGowan Calculated Property |
| Pc | 1100.08 | kPa | Joback Calculated Property |
| Inp | [2287.00; 2287.00] |
|
|
| Inp | 2287.00 | NIST | |
| Inp | 2287.00 | NIST | |
| Tboil | 857.51 | K | Joback Calculated Property |
| Tc | 1049.95 | K | Joback Calculated Property |
| Tfus | 551.45 | K | Joback Calculated Property |
| Vc | 1.185 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [911.62; 982.69] | J/mol×K | [857.51; 1049.95] |
|
| Cp,gas | 911.62 | J/mol×K | 857.51 | Joback Calculated Property |
| Cp,gas | 926.06 | J/mol×K | 889.58 | Joback Calculated Property |
| Cp,gas | 939.45 | J/mol×K | 921.66 | Joback Calculated Property |
| Cp,gas | 951.81 | J/mol×K | 953.73 | Joback Calculated Property |
| Cp,gas | 963.13 | J/mol×K | 985.80 | Joback Calculated Property |
| Cp,gas | 973.42 | J/mol×K | 1017.88 | Joback Calculated Property |
| Cp,gas | 982.69 | J/mol×K | 1049.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, butyl pentafluorophenyl ester.
Sources
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