- InChI
- InChI=1S/C16H24O10/c1-6-7(2)22-16-14(25-10(5)19)12(24-9(4)18)11(23-8(3)17)13(26-16)15(20)21/h7,11-14,16H,6H2,1-5H3,(H,20,21)/t7-,11?,12?,13?,14?,16?/m0/s1
- InChI Key
- XEHILUYIXVGVRP-JPWIBZRCSA-N
- Formula
- C16H24O10
- SMILES
-
CCC(C)OC1OC(C(=O)O)C(OC(C)=O)C
(OC(C)=O)C1OC(C)=O - Molecular Weight1
- 376.36
- 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° | -1083.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1669.32 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 53.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.83 | kJ/mol | Joback Calculated Property |
| log10WS | -1.44 | Crippen Calculated Property | |
| logPoct/wat | 0.406 | Crippen Calculated Property | |
| McVol | 266.940 | ml/mol | McGowan Calculated Property |
| Pc | 1727.46 | kPa | Joback Calculated Property |
| Inp | [1906.00; 1906.00] |
|
|
| Inp | 1906.00 | NIST | |
| Inp | 1906.00 | NIST | |
| Tboil | 990.20 | K | Joback Calculated Property |
| Tc | 1212.52 | K | Joback Calculated Property |
| Tfus | 621.53 | K | Joback Calculated Property |
| Vc | 0.991 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [922.66; 947.43] | J/mol×K | [990.20; 1212.52] |
|
| Cp,gas | 922.66 | J/mol×K | 990.20 | Joback Calculated Property |
| Cp,gas | 931.89 | J/mol×K | 1027.25 | Joback Calculated Property |
| Cp,gas | 939.03 | J/mol×K | 1064.31 | Joback Calculated Property |
| Cp,gas | 944.04 | J/mol×K | 1101.36 | Joback Calculated Property |
| Cp,gas | 946.86 | J/mol×K | 1138.41 | Joback Calculated Property |
| Cp,gas | 947.43 | J/mol×K | 1175.47 | Joback Calculated Property |
| Cp,gas | 945.70 | J/mol×K | 1212.52 | Joback Calculated Property |
| η | [0.0000147; 0.0002065] | Pa×s | [621.53; 990.20] |
|
| η | 0.0002065 | Pa×s | 621.53 | Joback Calculated Property |
| η | 0.0001091 | Pa×s | 682.98 | Joback Calculated Property |
| η | 0.0000640 | Pa×s | 744.42 | Joback Calculated Property |
| η | 0.0000408 | Pa×s | 805.87 | Joback Calculated Property |
| η | 0.0000277 | Pa×s | 867.31 | Joback Calculated Property |
| η | 0.0000198 | Pa×s | 928.76 | Joback Calculated Property |
| η | 0.0000147 | Pa×s | 990.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (S)-2-Butyl glucuronide, acetate.
Sources
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