- InChI
- InChI=1S/C16H14F12O10/c1-33-3-5(36-10(30)14(20,21)22)8(38-12(32)16(26,27)28)7(34-2)6(37-11(31)15(23,24)25)4-35-9(29)13(17,18)19/h5-8H,3-4H2,1-2H3/t5-,6+,7+,8+/m1/s1
- InChI Key
- IXSUWUULOGAOOG-KVPKETBZSA-N
- Formula
- C16H14F12O10
- SMILES
-
COCC(OC(=O)C(F)(F)F)C(OC(=O)C(
F)(F)F)C(OC)C(COC(=O)C(F)(F)F) OC(=O)C(F)(F)F - Molecular Weight1
- 594.26
- 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° | -3397.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -4026.65 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.11 | kJ/mol | Joback Calculated Property |
| log10WS | -3.24 | Crippen Calculated Property | |
| logPoct/wat | 2.176 | Crippen Calculated Property | |
| McVol | 299.040 | ml/mol | McGowan Calculated Property |
| Pc | 1084.92 | kPa | Joback Calculated Property |
| Inp | [1213.00; 1224.00] |
|
|
| Inp | 1224.00 | NIST | |
| Inp | 1213.00 | NIST | |
| Inp | 1224.00 | NIST | |
| Tboil | 892.04 | K | Joback Calculated Property |
| Tc | 1097.25 | K | Joback Calculated Property |
| Tfus | 559.94 | K | Joback Calculated Property |
| Vc | 1.212 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [977.41; 1019.30] | J/mol×K | [892.04; 1097.25] |
|
| Cp,gas | 977.41 | J/mol×K | 892.04 | Joback Calculated Property |
| Cp,gas | 987.41 | J/mol×K | 926.24 | Joback Calculated Property |
| Cp,gas | 996.15 | J/mol×K | 960.44 | Joback Calculated Property |
| Cp,gas | 1003.66 | J/mol×K | 994.65 | Joback Calculated Property |
| Cp,gas | 1010.00 | J/mol×K | 1028.85 | Joback Calculated Property |
| Cp,gas | 1015.20 | J/mol×K | 1063.05 | Joback Calculated Property |
| Cp,gas | 1019.30 | J/mol×K | 1097.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sorbitol, 3,6-dimethyl, TFA.
Sources
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