- InChI
- InChI=1S/C25H39FO4/c1-2-3-4-5-8-11-14-20-29-24(27)18-12-9-6-7-10-13-19-25(28)30-23-17-15-16-22(26)21-23/h15-17,21H,2-14,18-20H2,1H3
- InChI Key
- CURFOXKGPACISK-UHFFFAOYSA-N
- Formula
- C25H39FO4
- SMILES
-
CCCCCCCCCOC(=O)CCCCCCCCC(=O)Oc
1cccc(F)c1 - Molecular Weight1
- 422.57
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 1.1870 | Relay (1.0) Calculated Property | |
| ΔfG° | -400.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1141.17 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 62.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 119.86 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.86 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.15 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.146 | Crippen Calculated Property | |
| McVol | 356.000 | ml/mol | McGowan Calculated Property |
| Pc | 943.84 | kPa | Joback Calculated Property |
| Inp | [2988.00; 2988.00] |
|
|
| Inp | 2988.00 | NIST | |
| Inp | 2988.00 | NIST | |
| Tboil | 668.36 | K | Relay (1.0) Calculated Property |
| Tc | 860.86 | K | Relay (1.0) Calculated Property |
| Tfus | 315.49 | K | Relay (1.0) Calculated Property |
| Vc | 1.348 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1188.22; 1270.46] | J/mol×K | [954.91; 1169.45] |
|
| Cp,gas | 1188.22 | J/mol×K | 954.91 | Joback Calculated Property |
| Cp,gas | 1205.40 | J/mol×K | 990.67 | Joback Calculated Property |
| Cp,gas | 1221.13 | J/mol×K | 1026.42 | Joback Calculated Property |
| Cp,gas | 1235.46 | J/mol×K | 1062.18 | Joback Calculated Property |
| Cp,gas | 1248.43 | J/mol×K | 1097.94 | Joback Calculated Property |
| Cp,gas | 1260.08 | J/mol×K | 1133.69 | Joback Calculated Property |
| Cp,gas | 1270.46 | J/mol×K | 1169.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, 3-fluorophenyl nonyl ester.
Sources
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