- InChI
- InChI=1S/C18H38O5S2/c1-3-5-7-9-11-24-18(25-12-10-8-6-4-2)17(23)16(22)15(21)14(20)13-19/h14-23H,3-13H2,1-2H3
- InChI Key
- NVZRRIMRHXQLPB-UHFFFAOYSA-N
- Formula
- C18H38O5S2
- SMILES
-
CCCCCCSC(SCCCCCC)C(O)C(O)C(O)C
(O)CO - Molecular Weight1
- 398.62
- CAS
- 115395-54-5
- Other Names
-
- D-Glucose, dihexyl mercaptal
- (D)-glucose dihexyl dithioacetal
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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).
- 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° | -529.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1118.66 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 53.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 150.75 | kJ/mol | Joback Calculated Property |
| log10WS | -4.50 | Crippen Calculated Property | |
| logPoct/wat | 2.375 | Crippen Calculated Property | |
| McVol | 326.530 | ml/mol | McGowan Calculated Property |
| Pc | 1718.88 | kPa | Joback Calculated Property |
| Tboil | 1207.50 | K | Joback Calculated Property |
| Tc | 1580.60 | K | Joback Calculated Property |
| Tfus | 590.52 | K | Joback Calculated Property |
| Vc | 1.216 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1161.91; 1211.79] | J/mol×K | [1207.50; 1580.60] | 
|
| Cp,gas | 1161.91 | J/mol×K | 1207.50 | Joback Calculated Property |
| Cp,gas | 1175.15 | J/mol×K | 1269.68 | Joback Calculated Property |
| Cp,gas | 1186.04 | J/mol×K | 1331.87 | Joback Calculated Property |
| Cp,gas | 1194.87 | J/mol×K | 1394.05 | Joback Calculated Property |
| Cp,gas | 1201.92 | J/mol×K | 1456.23 | Joback Calculated Property |
| Cp,gas | 1207.47 | J/mol×K | 1518.41 | Joback Calculated Property |
| Cp,gas | 1211.79 | J/mol×K | 1580.60 | Joback Calculated Property |
| ΔfusH | 44.60 | kJ/mol | 377.00 | NIST |
Similar Compounds
Find more compounds similar to D-Glucose, dihexylthioacetal.
Sources
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