- InChI
- InChI=1S/C18H28O10/c1-7-9(2)8-24-18-16(27-12(5)21)14(26-11(4)20)13(25-10(3)19)15(28-18)17(22)23-6/h9,13-16,18H,7-8H2,1-6H3/t9-,13?,14?,15?,16?,18?/m1/s1
- InChI Key
- SAAKTKDFADNNST-GTEIWRBCSA-N
- Formula
- C18H28O10
- SMILES
-
CCC(C)COC1OC(C(=O)OC)C(OC(C)=O
)C(OC(C)=O)C1OC(C)=O - Molecular Weight1
- 404.41
- 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).
- 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° | -1034.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1690.59 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 55.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.01 | kJ/mol | Joback Calculated Property |
| log10WS | -1.69 | Crippen Calculated Property | |
| logPoct/wat | 0.742 | Crippen Calculated Property | |
| McVol | 295.120 | ml/mol | McGowan Calculated Property |
| Pc | 1364.66 | kPa | Joback Calculated Property |
| Inp | [2094.00; 2094.00] |
|
|
| Inp | 2094.00 | NIST | |
| Inp | 2094.00 | NIST | |
| Tboil | 966.20 | K | Joback Calculated Property |
| Tc | 1184.88 | K | Joback Calculated Property |
| Tfus | 605.48 | K | Joback Calculated Property |
| Vc | 1.101 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1017.31; 1053.48] | J/mol×K | [966.20; 1184.88] |
|
| Cp,gas | 1017.31 | J/mol×K | 966.20 | Joback Calculated Property |
| Cp,gas | 1029.09 | J/mol×K | 1002.65 | Joback Calculated Property |
| Cp,gas | 1038.66 | J/mol×K | 1039.09 | Joback Calculated Property |
| Cp,gas | 1045.95 | J/mol×K | 1075.54 | Joback Calculated Property |
| Cp,gas | 1050.89 | J/mol×K | 1111.98 | Joback Calculated Property |
| Cp,gas | 1053.42 | J/mol×K | 1148.43 | Joback Calculated Property |
| Cp,gas | 1053.48 | J/mol×K | 1184.88 | Joback Calculated Property |
| η | [0.0000645; 0.0004098] | Pa×s | [605.48; 966.20] |
|
| η | 0.0004098 | Pa×s | 605.48 | Joback Calculated Property |
| η | 0.0002620 | Pa×s | 665.60 | Joback Calculated Property |
| η | 0.0001804 | Pa×s | 725.72 | Joback Calculated Property |
| η | 0.0001315 | Pa×s | 785.84 | Joback Calculated Property |
| η | 0.0001003 | Pa×s | 845.96 | Joback Calculated Property |
| η | 0.0000792 | Pa×s | 906.08 | Joback Calculated Property |
| η | 0.0000645 | Pa×s | 966.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (S)-2-Methylbutyl glucuronide, methyl ester, triacetate.
Sources
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