- InChI
- InChI=1S/C5H12O2/c1-4(6)5(2,3)7/h4,6-7H,1-3H3
- InChI Key
- IDEOPBXRUBNYBN-UHFFFAOYSA-N
- Formula
- C5H12O2
- SMILES
- CC(O)C(C)(C)O
- Molecular Weight1
- 104.15
- CAS
- 5396-58-7
- 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 | 0.6439 | Relay (1.0) Calculated Property | |
| ΔfG° | -282.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -501.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 5.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.83 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.45 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.138 | Crippen Calculated Property | |
| McVol | 93.050 | ml/mol | McGowan Calculated Property |
| Pc | 4522.49 | kPa | Joback Calculated Property |
| Tboil | [446.15; 450.65] | K |
|
| Tboil | 446.65 ± 3.00 | K | NIST |
| Tboil | 446.15 ± 4.00 | K | NIST |
| Tboil | 450.65 ± 3.00 | K | NIST |
| Tc | 617.53 | K | Relay (1.0) Calculated Property |
| Tfus | 308.64 | K | Relay (1.0) Calculated Property |
| Vc | 0.355 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [216.81; 260.76] | J/mol×K | [494.49; 664.19] |
|
| Cp,gas | 216.81 | J/mol×K | 494.49 | Joback Calculated Property |
| Cp,gas | 225.13 | J/mol×K | 522.77 | Joback Calculated Property |
| Cp,gas | 233.03 | J/mol×K | 551.06 | Joback Calculated Property |
| Cp,gas | 240.53 | J/mol×K | 579.34 | Joback Calculated Property |
| Cp,gas | 247.63 | J/mol×K | 607.62 | Joback Calculated Property |
| Cp,gas | 254.37 | J/mol×K | 635.91 | Joback Calculated Property |
| Cp,gas | 260.76 | J/mol×K | 664.19 | Joback Calculated Property |
| η | [0.0000975; 0.4952678] | Pa×s | [255.17; 494.49] |
|
| η | 0.4952678 | Pa×s | 255.17 | Joback Calculated Property |
| η | 0.0456841 | Pa×s | 295.06 | Joback Calculated Property |
| η | 0.0074338 | Pa×s | 334.94 | Joback Calculated Property |
| η | 0.0017803 | Pa×s | 374.83 | Joback Calculated Property |
| η | 0.0005613 | Pa×s | 414.72 | Joback Calculated Property |
| η | 0.0002167 | Pa×s | 454.60 | Joback Calculated Property |
| η | 0.0000975 | Pa×s | 494.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-methylbutane-2,3-diol.
Sources
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