- InChI
- InChI=1S/C17H11F15O10/c1-2-38-8-6(42-11(37)14(22,23)17(30,31)32)4(41-10(36)13(20,21)16(27,28)29)3(5(39-8)7(33)34)40-9(35)12(18,19)15(24,25)26/h3-6,8H,2H2,1H3,(H,33,34)
- InChI Key
- KMNFLKNCKJTGLN-UHFFFAOYSA-N
- Formula
- C17H11F15O10
- SMILES
-
CCOC1OC(C(=O)O)C(OC(=O)C(F)(F)
C(F)(F)F)C(OC(=O)C(F)(F)C(F)(F )F)C1OC(=O)C(F)(F)C(F)(F)F - Molecular Weight1
- 660.24
- 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° | -3977.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -4678.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 60.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.41 | kJ/mol | Joback Calculated Property |
| log10WS | -4.68 | Crippen Calculated Property | |
| logPoct/wat | 3.161 | Crippen Calculated Property | |
| McVol | 307.580 | ml/mol | McGowan Calculated Property |
| Pc | 1060.33 | kPa | Joback Calculated Property |
| Inp | [1398.00; 1398.00] |
|
|
| Inp | 1398.00 | NIST | |
| Inp | 1398.00 | NIST | |
| Tboil | 983.19 | K | Joback Calculated Property |
| Tc | 1225.78 | K | Joback Calculated Property |
| Tfus | 671.17 | K | Joback Calculated Property |
| Vc | 1.256 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1087.55; 1117.84] | J/mol×K | [983.19; 1225.78] |
|
| Cp,gas | 1087.55 | J/mol×K | 983.19 | Joback Calculated Property |
| Cp,gas | 1095.92 | J/mol×K | 1023.62 | Joback Calculated Property |
| Cp,gas | 1102.78 | J/mol×K | 1064.05 | Joback Calculated Property |
| Cp,gas | 1108.26 | J/mol×K | 1104.49 | Joback Calculated Property |
| Cp,gas | 1112.51 | J/mol×K | 1144.92 | Joback Calculated Property |
| Cp,gas | 1115.65 | J/mol×K | 1185.35 | Joback Calculated Property |
| Cp,gas | 1117.84 | J/mol×K | 1225.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ethyl glucuronide, PFP.
Sources
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