- InChI
- InChI=1S/C5H12O2/c1-5(4-7)2-3-6/h5-7H,2-4H2,1H3
- InChI Key
- MWCBGWLCXSUTHK-UHFFFAOYSA-N
- Formula
- C5H12O2
- SMILES
- CC(CO)CCO
- Molecular Weight1
- 104.15
- CAS
- 2938-98-9
- Other Names
-
- 2-methylbutane-1,4-diol
- 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° | -284.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -456.27 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.69 | kJ/mol | Joback Calculated Property |
| log10WS | -0.20 | Crippen Calculated Property | |
| logPoct/wat | -0.003 | Crippen Calculated Property | |
| McVol | 93.050 | ml/mol | McGowan Calculated Property |
| Pc | 4409.10 | kPa | Joback Calculated Property |
| Tboil | [398.15; 466.15] | K |
|
| Tboil | 466.15 ± 3.00 | K | NIST |
| Tboil | 398.15 ± 2.00 | K | NIST |
| Tc | 658.58 | K | Joback Calculated Property |
| Tfus | 252.75 | K | Joback Calculated Property |
| Vc | 0.347 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [213.31; 255.10] | J/mol×K | [497.72; 658.58] |
|
| Cp,gas | 213.31 | J/mol×K | 497.72 | Joback Calculated Property |
| Cp,gas | 220.99 | J/mol×K | 524.53 | Joback Calculated Property |
| Cp,gas | 228.37 | J/mol×K | 551.34 | Joback Calculated Property |
| Cp,gas | 235.47 | J/mol×K | 578.15 | Joback Calculated Property |
| Cp,gas | 242.28 | J/mol×K | 604.96 | Joback Calculated Property |
| Cp,gas | 248.82 | J/mol×K | 631.77 | Joback Calculated Property |
| Cp,gas | 255.10 | J/mol×K | 658.58 | Joback Calculated Property |
| η | [0.0000967; 0.3861453] | Pa×s | [252.75; 497.72] |
|
| η | 0.3861453 | Pa×s | 252.75 | Joback Calculated Property |
| η | 0.0370842 | Pa×s | 293.58 | Joback Calculated Property |
| η | 0.0063110 | Pa×s | 334.41 | Joback Calculated Property |
| η | 0.0015790 | Pa×s | 375.24 | Joback Calculated Property |
| η | 0.0005185 | Pa×s | 416.06 | Joback Calculated Property |
| η | 0.0002078 | Pa×s | 456.89 | Joback Calculated Property |
| η | 0.0000967 | Pa×s | 497.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,4-Butanediol, 2-methyl-.
Sources
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