- InChI
- InChI=1S/C16H15F3O4/c1-3-5-10(4-2)22-13(20)8-9-14(21)23-12-7-6-11(17)15(18)16(12)19/h6-7,10H,4,8-9H2,1-2H3
- InChI Key
- YDOCRBWULUAUSQ-UHFFFAOYSA-N
- Formula
- C16H15F3O4
- SMILES
-
CC#CC(CC)OC(=O)CCC(=O)Oc1ccc(F
)c(F)c1F - Molecular Weight1
- 328.28
- 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° | -684.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -982.36 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.10 | kJ/mol | Joback Calculated Property |
| log10WS | -4.90 | Crippen Calculated Property | |
| logPoct/wat | 3.135 | Crippen Calculated Property | |
| McVol | 224.130 | ml/mol | McGowan Calculated Property |
| Pc | 1821.61 | kPa | Joback Calculated Property |
| Inp | [1951.00; 1951.00] |
|
|
| Inp | 1951.00 | NIST | |
| Inp | 1951.00 | NIST | |
| Tboil | 766.05 | K | Joback Calculated Property |
| Tc | 968.48 | K | Joback Calculated Property |
| Tfus | 571.25 | K | Joback Calculated Property |
| Vc | 0.881 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [621.88; 685.70] | J/mol×K | [766.05; 968.48] |
|
| Cp,gas | 621.88 | J/mol×K | 766.05 | Joback Calculated Property |
| Cp,gas | 634.70 | J/mol×K | 799.79 | Joback Calculated Property |
| Cp,gas | 646.65 | J/mol×K | 833.53 | Joback Calculated Property |
| Cp,gas | 657.72 | J/mol×K | 867.26 | Joback Calculated Property |
| Cp,gas | 667.92 | J/mol×K | 901.00 | Joback Calculated Property |
| Cp,gas | 677.25 | J/mol×K | 934.74 | Joback Calculated Property |
| Cp,gas | 685.70 | J/mol×K | 968.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, hex-4-yn-3-yl 2,3,4-trifluorophenyl ester.
Sources
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