- InChI
- InChI=1S/C6H14O2/c1-4(2)6(8)5(3)7/h4-8H,1-3H3
- InChI Key
- RNKURRDNOYXATR-UHFFFAOYSA-N
- Formula
- C6H14O2
- SMILES
- CC(C)C(O)C(C)O
- Molecular Weight1
- 118.17
- CAS
- 6464-40-0
- ω : Acentric Factor.
- 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).
- 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 | 0.6428 | Relay (... Calculated Property | |
| ΔfG° | -281.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -482.53 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 8.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.77 | kJ/mol | Relay (... Calculated Property |
| IE | 9.87 | eV | Relay (... Calculated Property |
| log10WS | -0.28 | Relay (... Calculated Property | |
| logPoct/wat | 0.384 | Crippen Calculated Property | |
| McVol | 107.140 | ml/mol | McGowan Calculated Property |
| Pc | 3975.52 | kPa | Joback Calculated Property |
| Tboil | 460.02 | K | Relay (... Calculated Property |
| Tc | 624.23 | K | Relay (... Calculated Property |
| Tfus | 293.73 | K | Relay (... Calculated Property |
| Vc | 0.398 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [256.00; 305.12] | J/mol×K | [519.72; 685.78] | 
|
| Cp,gas | 256.00 | J/mol×K | 519.72 | Joback Calculated Property |
| Cp,gas | 265.09 | J/mol×K | 547.40 | Joback Calculated Property |
| Cp,gas | 273.80 | J/mol×K | 575.07 | Joback Calculated Property |
| Cp,gas | 282.15 | J/mol×K | 602.75 | Joback Calculated Property |
| Cp,gas | 290.15 | J/mol×K | 630.43 | Joback Calculated Property |
| Cp,gas | 297.80 | J/mol×K | 658.10 | Joback Calculated Property |
| Cp,gas | 305.12 | J/mol×K | 685.78 | Joback Calculated Property |
| η | [0.0000664; 2.1854148] | Pa×s | [234.02; 519.72] |
|
| η | 2.1854148 | Pa×s | 234.02 | Joback Calculated Property |
| η | 0.0891622 | Pa×s | 281.64 | Joback Calculated Property |
| η | 0.0091767 | Pa×s | 329.25 | Joback Calculated Property |
| η | 0.0016777 | Pa×s | 376.87 | Joback Calculated Property |
| η | 0.0004491 | Pa×s | 424.49 | Joback Calculated Property |
| η | 0.0001568 | Pa×s | 472.10 | Joback Calculated Property |
| η | 0.0000664 | Pa×s | 519.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (SS)- or (RR)-4-methyl-2,3-pentanediol.
Sources
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