- 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
- Other Names
-
- 2-methylbutane-1,4-diol
- 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 | 0.6982 | Relay (1.0) Calculated Property | |
| ΔfG° | -284.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -449.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.82 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.05 | Relay (1.0) 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 | 692.15 | K | Relay (1.0) Calculated Property |
| Tfus | 219.97 | K | Relay (1.0) Calculated Property |
| Vc | 0.322 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [136.24; 315.16] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 7.24300e+00 | |||
| Coefficient B | 5.52720e-01 | |||
| Coefficient C | -3.12200e-04 | |||
| Coefficient D | 6.74000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 136.24 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 166.69 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 194.01 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 218.39 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 240.06 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 259.23 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 276.11 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 290.92 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 303.87 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 315.16 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.3861453; 0.0001905] | Pa×s | [252.75; 461.19] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.77992e+01 | |||
| Coefficient B | 4.25824e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 252.75 | |||
| Temperature range, max. | 461.19 | |||
| η | 0.3861453 | Pa×s | 252.75 | Calculated Property |
| η | 0.0938794 | Pa×s | 275.91 | Calculated Property |
| η | 0.0284128 | Pa×s | 299.07 | Calculated Property |
| η | 0.0102111 | Pa×s | 322.23 | Calculated Property |
| η | 0.0042095 | Pa×s | 345.39 | Calculated Property |
| η | 0.0019398 | Pa×s | 368.55 | Calculated Property |
| η | 0.0009797 | Pa×s | 391.71 | Calculated Property |
| η | 0.0005340 | Pa×s | 414.87 | Calculated Property |
| η | 0.0003103 | Pa×s | 438.03 | Calculated Property |
| η | 0.0001905 | Pa×s | 461.19 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,4-Butanediol, 2-methyl-.
Sources
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