- InChI
- InChI=1S/C16H23F3O4/c1-5-6-7-13(10-11(2)3)23-15(21)9-8-14(20)22-12(4)16(17,18)19/h11-13H,5,8-10H2,1-4H3
- InChI Key
- XVUHNTLXOSBZKB-UHFFFAOYSA-N
- Formula
- C16H23F3O4
- SMILES
-
CCC#CC(CC(C)C)OC(=O)CCC(=O)OC(
C)C(F)(F)F - Molecular Weight1
- 336.35
- 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° | -770.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1203.79 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.76 | kJ/mol | Joback Calculated Property |
| log10WS | -4.68 | Crippen Calculated Property | |
| logPoct/wat | 3.632 | Crippen Calculated Property | |
| McVol | 247.890 | ml/mol | McGowan Calculated Property |
| Pc | 1486.14 | kPa | Joback Calculated Property |
| Inp | [1637.00; 1637.00] |
|
|
| Inp | 1637.00 | NIST | |
| Inp | 1637.00 | NIST | |
| Tboil | 720.32 | K | Joback Calculated Property |
| Tc | 906.07 | K | Joback Calculated Property |
| Tfus | 479.69 | K | Joback Calculated Property |
| Vc | 0.967 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [715.10; 794.03] | J/mol×K | [720.32; 906.07] |
|
| Cp,gas | 715.10 | J/mol×K | 720.32 | Joback Calculated Property |
| Cp,gas | 730.39 | J/mol×K | 751.28 | Joback Calculated Property |
| Cp,gas | 744.80 | J/mol×K | 782.24 | Joback Calculated Property |
| Cp,gas | 758.35 | J/mol×K | 813.20 | Joback Calculated Property |
| Cp,gas | 771.05 | J/mol×K | 844.16 | Joback Calculated Property |
| Cp,gas | 782.94 | J/mol×K | 875.11 | Joback Calculated Property |
| Cp,gas | 794.03 | J/mol×K | 906.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 1,1,1-trifluoroprop-2-yl 2-methyloct-5-yn-4-yl ester.
Sources
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