- InChI
- InChI=1S/C17H26O10/c1-8(2)6-7-23-17-15(26-11(5)20)13(25-10(4)19)12(24-9(3)18)14(27-17)16(21)22/h8,12-15,17H,6-7H2,1-5H3,(H,21,22)
- InChI Key
- SNRAFAUYYZLVHY-UHFFFAOYSA-N
- Formula
- C17H26O10
- SMILES
-
CC(=O)OC1C(OCCC(C)C)OC(C(=O)O)
C(OC(C)=O)C1OC(C)=O - Molecular Weight1
- 390.38
- 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° | -1075.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1689.96 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 55.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 110.05 | kJ/mol | Joback Calculated Property |
| log10WS | -1.51 | Crippen Calculated Property | |
| logPoct/wat | 0.654 | Crippen Calculated Property | |
| McVol | 281.030 | ml/mol | McGowan Calculated Property |
| Pc | 1597.44 | kPa | Joback Calculated Property |
| Inp | 2010.00 | NIST | |
| Tboil | 1013.08 | K | Joback Calculated Property |
| Tc | 1240.35 | K | Joback Calculated Property |
| Tfus | 632.80 | K | Joback Calculated Property |
| Vc | 1.046 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [980.47; 1002.24] | J/mol×K | [1013.08; 1240.35] | 
|
| Cp,gas | 980.47 | J/mol×K | 1013.08 | Joback Calculated Property |
| Cp,gas | 989.36 | J/mol×K | 1050.96 | Joback Calculated Property |
| Cp,gas | 995.99 | J/mol×K | 1088.84 | Joback Calculated Property |
| Cp,gas | 1000.30 | J/mol×K | 1126.72 | Joback Calculated Property |
| Cp,gas | 1002.24 | J/mol×K | 1164.60 | Joback Calculated Property |
| Cp,gas | 1001.76 | J/mol×K | 1202.48 | Joback Calculated Property |
| Cp,gas | 998.80 | J/mol×K | 1240.35 | Joback Calculated Property |
| η | [0.0000124; 0.0001795] | Pa×s | [632.80; 1013.08] |
|
| η | 0.0001795 | Pa×s | 632.80 | Joback Calculated Property |
| η | 0.0000939 | Pa×s | 696.18 | Joback Calculated Property |
| η | 0.0000548 | Pa×s | 759.56 | Joback Calculated Property |
| η | 0.0000347 | Pa×s | 822.94 | Joback Calculated Property |
| η | 0.0000235 | Pa×s | 886.32 | Joback Calculated Property |
| η | 0.0000167 | Pa×s | 949.70 | Joback Calculated Property |
| η | 0.0000124 | Pa×s | 1013.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isopentyl glucuronide, acetate.
Sources
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