- InChI
- InChI=1S/C15H23F3O4/c1-4-6-7-8-12(5-2)22-14(20)10-9-13(19)21-11(3)15(16,17)18/h5,11-12H,2,4,6-10H2,1,3H3
- InChI Key
- QNXBOKWZLWBLLM-UHFFFAOYSA-N
- Formula
- C15H23F3O4
- SMILES
-
C=CC(CCCCC)OC(=O)CCC(=O)OC(C)C
(F)(F)F - Molecular Weight1
- 324.34
- 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 | 0.7304 | Relay (1.0) Calculated Property | |
| ΔfG° | -891.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1522.86 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.26 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.93 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.80 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.939 | Crippen Calculated Property | |
| McVol | 238.100 | ml/mol | McGowan Calculated Property |
| Pc | 1452.35 | kPa | Joback Calculated Property |
| Inp | [1603.00; 1603.00] |
|
|
| Inp | 1603.00 | NIST | |
| Inp | 1603.00 | NIST | |
| Tboil | 529.92 | K | Relay (1.0) Calculated Property |
| Tc | 668.43 | K | Relay (1.0) Calculated Property |
| Tfus | 257.76 | K | Relay (1.0) Calculated Property |
| Vc | 0.860 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [680.39; 758.16] | J/mol×K | [685.56; 858.27] |
|
| Cp,gas | 680.39 | J/mol×K | 685.56 | Joback Calculated Property |
| Cp,gas | 695.25 | J/mol×K | 714.34 | Joback Calculated Property |
| Cp,gas | 709.31 | J/mol×K | 743.13 | Joback Calculated Property |
| Cp,gas | 722.62 | J/mol×K | 771.91 | Joback Calculated Property |
| Cp,gas | 735.18 | J/mol×K | 800.70 | Joback Calculated Property |
| Cp,gas | 747.02 | J/mol×K | 829.48 | Joback Calculated Property |
| Cp,gas | 758.16 | J/mol×K | 858.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 1,1,1-trifluoroprop-2-yl oct-1-en-3-yl ester.
Sources
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