- InChI
- InChI=1S/C17H26O11/c1-9(18)24-7-14(26-11(3)20)16(23-6)17(28-13(5)22)15(27-12(4)21)8-25-10(2)19/h14-17H,7-8H2,1-6H3/t14-,15+,16-,17-/m0/s1
- InChI Key
- RFZVFYLLLYGOTQ-YVSFHVDLSA-N
- Formula
- C17H26O11
- SMILES
-
COC(C(COC(C)=O)OC(C)=O)C(OC(C)
=O)C(COC(C)=O)OC(C)=O - Molecular Weight1
- 406.38
- 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 | 0.9078 | Relay (1.0) Calculated Property | |
| ΔfG° | -1192.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2050.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 118.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.02 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.077 | Crippen Calculated Property | |
| McVol | 293.460 | ml/mol | McGowan Calculated Property |
| Pc | 1473.62 | kPa | Joback Calculated Property |
| Inp | [2101.00; 2108.00] |
|
|
| Inp | 2108.00 | NIST | |
| Inp | 2101.00 | NIST | |
| Inp | 2108.00 | NIST | |
| Tboil | 623.53 | K | Relay (1.0) Calculated Property |
| Tc | 777.76 | K | Relay (1.0) Calculated Property |
| Tfus | 332.67 | K | Relay (1.0) Calculated Property |
| Vc | 1.070 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [952.08; 977.42] | J/mol×K | [990.47; 1212.63] |
|
| Cp,gas | 952.08 | J/mol×K | 990.47 | Joback Calculated Property |
| Cp,gas | 961.23 | J/mol×K | 1027.50 | Joback Calculated Property |
| Cp,gas | 968.40 | J/mol×K | 1064.52 | Joback Calculated Property |
| Cp,gas | 973.52 | J/mol×K | 1101.55 | Joback Calculated Property |
| Cp,gas | 976.55 | J/mol×K | 1138.58 | Joback Calculated Property |
| Cp,gas | 977.42 | J/mol×K | 1175.61 | Joback Calculated Property |
| Cp,gas | 976.08 | J/mol×K | 1212.63 | Joback Calculated Property |
| η | [0.0000142; 0.0001910] | Pa×s | [604.38; 990.47] |
|
| η | 0.0001910 | Pa×s | 604.38 | Joback Calculated Property |
| η | 0.0001006 | Pa×s | 668.73 | Joback Calculated Property |
| η | 0.0000593 | Pa×s | 733.08 | Joback Calculated Property |
| η | 0.0000381 | Pa×s | 797.42 | Joback Calculated Property |
| η | 0.0000261 | Pa×s | 861.77 | Joback Calculated Property |
| η | 0.0000189 | Pa×s | 926.12 | Joback Calculated Property |
| η | 0.0000142 | Pa×s | 990.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sorbitol, 3-methyl, acetylated.
Sources
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