- InChI
- InChI=1S/C8H18O2/c1-5-7(3,9)8(4,10)6-2/h9-10H,5-6H2,1-4H3
- InChI Key
- RJOVKNVJGPMWDT-UHFFFAOYSA-N
- Formula
- C8H18O2
- SMILES
- CCC(C)(O)C(C)(O)CC
- Molecular Weight1
- 146.23
- CAS
- 1185-02-0
- 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° | -251.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -530.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 9.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.17 | kJ/mol | Joback Calculated Property |
| log10WS | -1.92 | Crippen Calculated Property | |
| logPoct/wat | 1.308 | Crippen Calculated Property | |
| McVol | 135.320 | ml/mol | McGowan Calculated Property |
| Pc | 3213.68 | kPa | Joback Calculated Property |
| Tboil | 560.34 | K | Joback Calculated Property |
| Tc | 732.08 | K | Joback Calculated Property |
| Tfus | 326.00 ± 3.00 | K | NIST |
| Vc | 0.499 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [351.75; 410.29] | J/mol×K | [560.34; 732.08] | 
|
| Cp,gas | 351.75 | J/mol×K | 560.34 | Joback Calculated Property |
| Cp,gas | 362.94 | J/mol×K | 588.96 | Joback Calculated Property |
| Cp,gas | 373.51 | J/mol×K | 617.59 | Joback Calculated Property |
| Cp,gas | 383.50 | J/mol×K | 646.21 | Joback Calculated Property |
| Cp,gas | 392.93 | J/mol×K | 674.83 | Joback Calculated Property |
| Cp,gas | 401.85 | J/mol×K | 703.45 | Joback Calculated Property |
| Cp,gas | 410.29 | J/mol×K | 732.08 | Joback Calculated Property |
| η | [0.0000412; 0.0655747] | Pa×s | [306.40; 560.34] |
|
| η | 0.0655747 | Pa×s | 306.40 | Joback Calculated Property |
| η | 0.0091067 | Pa×s | 348.72 | Joback Calculated Property |
| η | 0.0019390 | Pa×s | 391.05 | Joback Calculated Property |
| η | 0.0005585 | Pa×s | 433.37 | Joback Calculated Property |
| η | 0.0002007 | Pa×s | 475.69 | Joback Calculated Property |
| η | 0.0000853 | Pa×s | 518.02 | Joback Calculated Property |
| η | 0.0000412 | Pa×s | 560.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,4-Hexanediol, 3,4-dimethyl-.
Sources
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