- InChI
- InChI=1S/C7H16O2/c1-7(4-6-9)3-2-5-8/h7-9H,2-6H2,1H3
- InChI Key
- SQAJRDHPLTWZQT-UHFFFAOYSA-N
- Formula
- C7H16O2
- SMILES
- CC(CCO)CCCO
- Molecular Weight1
- 132.20
- CAS
- 4089-71-8
- 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° | -268.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -497.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.15 | kJ/mol | Joback Calculated Property |
| log10WS | -1.04 | Crippen Calculated Property | |
| logPoct/wat | 0.777 | Crippen Calculated Property | |
| McVol | 121.230 | ml/mol | McGowan Calculated Property |
| Pc | 3468.36 | kPa | Joback Calculated Property |
| Tboil | 543.48 | K | Joback Calculated Property |
| Tc | 703.08 | K | Joback Calculated Property |
| Tfus | 275.29 | K | Joback Calculated Property |
| Vc | 0.460 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [299.37; 351.20] | J/mol×K | [543.48; 703.08] | 
|
| Cp,gas | 299.37 | J/mol×K | 543.48 | Joback Calculated Property |
| Cp,gas | 308.91 | J/mol×K | 570.08 | Joback Calculated Property |
| Cp,gas | 318.08 | J/mol×K | 596.68 | Joback Calculated Property |
| Cp,gas | 326.88 | J/mol×K | 623.28 | Joback Calculated Property |
| Cp,gas | 335.33 | J/mol×K | 649.88 | Joback Calculated Property |
| Cp,gas | 343.43 | J/mol×K | 676.48 | Joback Calculated Property |
| Cp,gas | 351.20 | J/mol×K | 703.08 | Joback Calculated Property |
| η | [0.0000567; 0.1642467] | Pa×s | [275.29; 543.48] |
|
| η | 0.1642467 | Pa×s | 275.29 | Joback Calculated Property |
| η | 0.0172033 | Pa×s | 319.99 | Joback Calculated Property |
| η | 0.0031328 | Pa×s | 364.69 | Joback Calculated Property |
| η | 0.0008275 | Pa×s | 409.38 | Joback Calculated Property |
| η | 0.0002841 | Pa×s | 454.08 | Joback Calculated Property |
| η | 0.0001181 | Pa×s | 498.78 | Joback Calculated Property |
| η | 0.0000567 | Pa×s | 543.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,6-Hexanediol, 3-methyl-.
Sources
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