- InChI
- InChI=1S/C17H26O10/c1-7-8(2)23-17-15(26-11(5)20)13(25-10(4)19)12(24-9(3)18)14(27-17)16(21)22-6/h8,12-15,17H,7H2,1-6H3/t8-,12?,13?,14?,15?,17?/m0/s1
- InChI Key
- USMXXCSZCGJCAC-HWFVQPHASA-N
- Formula
- C17H26O10
- SMILES
-
CCC(C)OC1OC(C(=O)OC)C(OC(C)=O)
C(OC(C)=O)C1OC(C)=O - Molecular Weight1
- 390.38
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.7681 | Relay (... Calculated Property | |
| ΔfG° | -1043.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1895.62 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 52.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.77 | kJ/mol | Relay (... Calculated Property |
| IE | 9.22 | eV | Relay (... Calculated Property |
| log10WS | -1.21 | Relay (... Calculated Property | |
| logPoct/wat | 0.494 | Crippen Calculated Property | |
| McVol | 281.030 | ml/mol | McGowan Calculated Property |
| Pc | 1466.85 | kPa | Joback Calculated Property |
| Inp | 2000.00 | NIST | |
| Tboil | 602.32 | K | Relay (... Calculated Property |
| Tc | 796.03 | K | Relay (... Calculated Property |
| Tfus | 343.22 | K | Relay (... Calculated Property |
| Vc | 1.032 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [958.52; 999.05] | J/mol×K | [943.32; 1159.31] | 
|
| Cp,gas | 958.52 | J/mol×K | 943.32 | Joback Calculated Property |
| Cp,gas | 970.67 | J/mol×K | 979.32 | Joback Calculated Property |
| Cp,gas | 980.75 | J/mol×K | 1015.32 | Joback Calculated Property |
| Cp,gas | 988.69 | J/mol×K | 1051.31 | Joback Calculated Property |
| Cp,gas | 994.43 | J/mol×K | 1087.31 | Joback Calculated Property |
| Cp,gas | 997.91 | J/mol×K | 1123.31 | Joback Calculated Property |
| Cp,gas | 999.05 | J/mol×K | 1159.31 | Joback Calculated Property |
| η | [0.0000741; 0.0004525] | Pa×s | [594.21; 943.32] |
|
| η | 0.0004525 | Pa×s | 594.21 | Joback Calculated Property |
| η | 0.0002926 | Pa×s | 652.39 | Joback Calculated Property |
| η | 0.0002032 | Pa×s | 710.58 | Joback Calculated Property |
| η | 0.0001491 | Pa×s | 768.77 | Joback Calculated Property |
| η | 0.0001143 | Pa×s | 826.95 | Joback Calculated Property |
| η | 0.0000908 | Pa×s | 885.13 | Joback Calculated Property |
| η | 0.0000741 | Pa×s | 943.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (S)-2-Butyl glucuronide, methyl ester, triacetate.
Sources
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