- InChI
- InChI=1S/C19H15F15O10/c1-2-3-4-40-10-8(44-13(39)16(24,25)19(32,33)34)6(43-12(38)15(22,23)18(29,30)31)5(7(41-10)9(35)36)42-11(37)14(20,21)17(26,27)28/h5-8,10H,2-4H2,1H3,(H,35,36)
- InChI Key
- USQSAGSYSSKCER-UHFFFAOYSA-N
- Formula
- C19H15F15O10
- SMILES
-
CCCCOC1OC(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
- 688.29
- 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° | -3961.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -4720.11 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 66.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.86 | kJ/mol | Joback Calculated Property |
| log10WS | -5.52 | Crippen Calculated Property | |
| logPoct/wat | 3.941 | Crippen Calculated Property | |
| McVol | 335.760 | ml/mol | McGowan Calculated Property |
| Pc | 939.22 | kPa | Joback Calculated Property |
| Inp | [1554.00; 1554.00] |
|
|
| Inp | 1554.00 | NIST | |
| Inp | 1554.00 | NIST | |
| Tboil | 1028.95 | K | Joback Calculated Property |
| Tc | 1300.01 | K | Joback Calculated Property |
| Tfus | 693.71 | K | Joback Calculated Property |
| Vc | 1.369 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1201.33; 1233.42] | J/mol×K | [1028.95; 1300.01] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 1200 1205 1210 1215 1220 1225 1230 1235 1100 1200 1300 | ||||
| Cp,gas | 1201.33 | J/mol×K | 1028.95 | Joback Calculated Property |
| Cp,gas | 1210.50 | J/mol×K | 1074.13 | Joback Calculated Property |
| Cp,gas | 1217.87 | J/mol×K | 1119.30 | Joback Calculated Property |
| Cp,gas | 1223.64 | J/mol×K | 1164.48 | Joback Calculated Property |
| Cp,gas | 1228.02 | J/mol×K | 1209.66 | Joback Calculated Property |
| Cp,gas | 1231.21 | J/mol×K | 1254.83 | Joback Calculated Property |
| Cp,gas | 1233.42 | J/mol×K | 1300.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butyl glucuronide, PFP.
Sources
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