- InChI
- InChI=1S/C8H18O2/c1-3-4-5-6-8(10)7(2)9/h7-10H,3-6H2,1-2H3
- InChI Key
- XMTUJCWABCYSIV-UHFFFAOYSA-N
- Formula
- C8H18O2
- SMILES
- CCCCCC(O)C(C)O
- Molecular Weight1
- 146.23
- CAS
- 20653-90-1
- 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).
- I : 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° | -262.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -523.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.98 | 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 | 3135.00 | kPa | Joback Calculated Property |
| I | 1613.00 | NIST | |
| Tboil | 565.92 | K | Joback Calculated Property |
| Tc | 727.66 | K | Joback Calculated Property |
| Tfus | 271.56 | K | Joback Calculated Property |
| Vc | 0.509 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [345.58; 402.84] | J/mol×K | [565.92; 727.66] | 
|
| Cp,gas | 345.58 | J/mol×K | 565.92 | Joback Calculated Property |
| Cp,gas | 356.16 | J/mol×K | 592.88 | Joback Calculated Property |
| Cp,gas | 366.31 | J/mol×K | 619.83 | Joback Calculated Property |
| Cp,gas | 376.04 | J/mol×K | 646.79 | Joback Calculated Property |
| Cp,gas | 385.36 | J/mol×K | 673.75 | Joback Calculated Property |
| Cp,gas | 394.29 | J/mol×K | 700.71 | Joback Calculated Property |
| Cp,gas | 402.84 | J/mol×K | 727.66 | Joback Calculated Property |
| η | [0.0000411; 0.2642980] | Pa×s | [271.56; 565.92] |
|
| η | 0.2642980 | Pa×s | 271.56 | Joback Calculated Property |
| η | 0.0200295 | Pa×s | 320.62 | Joback Calculated Property |
| η | 0.0030104 | Pa×s | 369.68 | Joback Calculated Property |
| η | 0.0007054 | Pa×s | 418.74 | Joback Calculated Property |
| η | 0.0002241 | Pa×s | 467.80 | Joback Calculated Property |
| η | 0.0000885 | Pa×s | 516.86 | Joback Calculated Property |
| η | 0.0000411 | Pa×s | 565.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,3-Octanediol.
Sources
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