- InChI
- InChI=1S/C7H14O6/c1-7(13)5(11)3(9)2(8)4(10)6(7)12/h2-6,8-13H,1H3/t2?,3-,4?,5?,6-,7?/m0/s1
- InChI Key
- AJGYLNFUYLRZFR-OCHHZKIDSA-N
- Formula
- C7H14O6
- SMILES
- CC1(O)C(O)C(O)C(O)C(O)C1O
- Molecular Weight1
- 194.18
- 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).
- 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° | -832.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1133.33 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 128.98 | kJ/mol | Joback Calculated Property |
| log10WS | 1.10 | Crippen Calculated Property | |
| logPoct/wat | -3.444 | Crippen Calculated Property | |
| McVol | 133.850 | ml/mol | McGowan Calculated Property |
| Pc | 6369.39 | kPa | Joback Calculated Property |
| Inp | 1866.00 | NIST | |
| Tboil | 909.08 | K | Joback Calculated Property |
| Tc | 1115.31 | K | Joback Calculated Property |
| Tfus | 543.65 | K | Joback Calculated Property |
| Vc | 0.468 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [491.30; 552.86] | J/mol×K | [909.08; 1115.31] | 
|
| Cp,gas | 491.30 | J/mol×K | 909.08 | Joback Calculated Property |
| Cp,gas | 501.52 | J/mol×K | 943.45 | Joback Calculated Property |
| Cp,gas | 511.66 | J/mol×K | 977.82 | Joback Calculated Property |
| Cp,gas | 521.79 | J/mol×K | 1012.19 | Joback Calculated Property |
| Cp,gas | 531.98 | J/mol×K | 1046.57 | Joback Calculated Property |
| Cp,gas | 542.32 | J/mol×K | 1080.94 | Joback Calculated Property |
| Cp,gas | 552.86 | J/mol×K | 1115.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Methyl-muco-inositol.
Sources
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