- InChI
- InChI=1S/C13H16F4O4/c1-3-5-9(4-2)21-11(19)7-6-10(18)20-8-13(16,17)12(14)15/h9,12H,4,6-8H2,1-2H3
- InChI Key
- MWGANCKJNQZBOW-UHFFFAOYSA-N
- Formula
- C13H16F4O4
- SMILES
-
CC#CC(CC)OC(=O)CCC(=O)OCC(F)(F
)C(F)F - Molecular Weight1
- 312.26
- 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 | 0.6411 | Relay (1.0) Calculated Property | |
| ΔfG° | -987.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1433.61 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.64 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.44 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.555 | Crippen Calculated Property | |
| McVol | 207.390 | ml/mol | McGowan Calculated Property |
| Pc | 1796.98 | kPa | Joback Calculated Property |
| Inp | [1548.00; 1548.00] |
|
|
| Inp | 1548.00 | NIST | |
| Inp | 1548.00 | NIST | |
| Tboil | 512.20 | K | Relay (1.0) Calculated Property |
| Tc | 688.02 | K | Relay (1.0) Calculated Property |
| Tfus | 317.35 | K | Relay (1.0) Calculated Property |
| Vc | 0.744 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [561.92; 630.85] | J/mol×K | [651.39; 830.88] |
|
| Cp,gas | 561.92 | J/mol×K | 651.39 | Joback Calculated Property |
| Cp,gas | 575.13 | J/mol×K | 681.31 | Joback Calculated Property |
| Cp,gas | 587.63 | J/mol×K | 711.22 | Joback Calculated Property |
| Cp,gas | 599.44 | J/mol×K | 741.14 | Joback Calculated Property |
| Cp,gas | 610.57 | J/mol×K | 771.05 | Joback Calculated Property |
| Cp,gas | 621.04 | J/mol×K | 800.97 | Joback Calculated Property |
| Cp,gas | 630.85 | J/mol×K | 830.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, hex-4-yn-3-yl 2,2,3,3-tetrafluoropropyl ester.
Sources
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