- InChI
- InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m1/s1
- InChI Key
- LKDRXBCSQODPBY-ARQDHWQXSA-N
- Formula
- C6H12O6
- SMILES
- OCC1(O)OCC(O)C(O)C1O
- Molecular Weight1
- 180.16
- CAS
- 7660-25-5
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase 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).
- 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).
- 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 | 0.9010 | Relay (1.0) Calculated Property | |
| ΔfG° | -774.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -996.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 131.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.77 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.09 | Relay (1.0) Calculated Property | |
| logPoct/wat | -3.220 | Crippen Calculated Property | |
| McVol | 119.760 | ml/mol | McGowan Calculated Property |
| Pc | 7037.97 | kPa | Joback Calculated Property |
| Tboil | 633.04 | K | Relay (1.0) Calculated Property |
| Tc | 924.48 | K | Relay (1.0) Calculated Property |
| Tfus | 405.09 | K | Relay (1.0) Calculated Property |
| Vc | 0.465 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [409.17; 458.97] | J/mol×K | [830.31; 1017.85] | 
|
| Cp,gas | 409.17 | J/mol×K | 830.31 | Joback Calculated Property |
| Cp,gas | 417.53 | J/mol×K | 861.57 | Joback Calculated Property |
| Cp,gas | 425.78 | J/mol×K | 892.82 | Joback Calculated Property |
| Cp,gas | 434.00 | J/mol×K | 924.08 | Joback Calculated Property |
| Cp,gas | 442.23 | J/mol×K | 955.34 | Joback Calculated Property |
| Cp,gas | 450.53 | J/mol×K | 986.59 | Joback Calculated Property |
| Cp,gas | 458.97 | J/mol×K | 1017.85 | Joback Calculated Property |
| Cp,solid | [201.00; 230.50] | J/mol×K | [300.00; 300.00] |
|
| Cp,solid | 201.00 | J/mol×K | 300.00 | NIST |
| Cp,solid | 230.50 | J/mol×K | 300.00 | NIST |
Similar Compounds
Find more compounds similar to Fructose.
Sources
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