- InChI
- InChI=1S/2C6H12O6/c2*7-1-2-3(8)4(9)5(10)6(11)12-2/h2*2-11H,1H2/t2-,3+,4+,5+,6?;2-,3-,4+,5-,6?/m11/s1
- InChI Key
- NHUFMXNVSAWNTO-QPPKWXPNSA-N
- Formula
- C6H12O6
- SMILES
-
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)
C(O)C(O)C1O - Molecular Weight1
- 180.16
- CAS
- 921-60-8
- 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).
- 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° | -1607.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2243.01 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 72.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 216.80 | kJ/mol | Joback Calculated Property |
| log10WS | 2.34 | Crippen Calculated Property | |
| logPoct/wat | -6.443 | Crippen Calculated Property | |
| McVol | 239.520 | ml/mol | McGowan Calculated Property |
| Pc | 5029.93 | kPa | Joback Calculated Property |
| Tboil | 1452.80 | K | Joback Calculated Property |
| Tc | 2324.29 | K | Joback Calculated Property |
| Tfus | 834.44 | K | Joback Calculated Property |
| Vc | 0.816 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [-717.58; 841.05] | J/mol×K | [1452.80; 2324.29] | 
|
| Cp,gas | 841.05 | J/mol×K | 1452.80 | Joback Calculated Property |
| Cp,gas | 723.21 | J/mol×K | 1598.05 | Joback Calculated Property |
| Cp,gas | 553.78 | J/mol×K | 1743.30 | Joback Calculated Property |
| Cp,gas | 328.88 | J/mol×K | 1888.55 | Joback Calculated Property |
| Cp,gas | 44.60 | J/mol×K | 2033.80 | Joback Calculated Property |
| Cp,gas | -302.92 | J/mol×K | 2179.05 | Joback Calculated Property |
| Cp,gas | -717.58 | J/mol×K | 2324.29 | Joback Calculated Property |
| η | [0.0000000; 4.6584063e-11] | Pa×s | [834.44; 1452.80] |
|
| η | 4.6584063e-11 | Pa×s | 834.44 | Joback Calculated Property |
| η | 4.1994635e-12 | Pa×s | 937.50 | Joback Calculated Property |
| η | 6.0975922e-13 | Pa×s | 1040.56 | Joback Calculated Property |
| η | 1.2536203e-13 | Pa×s | 1143.62 | Joback Calculated Property |
| η | 3.3477854e-14 | Pa×s | 1246.68 | Joback Calculated Property |
| η | 1.0937421e-14 | Pa×s | 1349.74 | Joback Calculated Property |
| η | 0.0000000 | Pa×s | 1452.80 | Joback Calculated Property |
Similar Compounds
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Sources
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