- InChI
- InChI=1S/C5H12O2/c1-4(3-6)5(2)7/h4-7H,3H2,1-2H3
- InChI Key
- GNBPEYCZELNJMS-UHFFFAOYSA-N
- Formula
- C5H12O2
- SMILES
- CC(O)C(C)CO
- Molecular Weight1
- 104.15
- CAS
- 684-84-4
- Other Names
-
- 2-Methyl-1,3-butanediol
- 2-Methylbutanediol-1,3
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Pvap : Vapor 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° | -287.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -461.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 9.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.31 | kJ/mol | Joback Calculated Property |
| log10WS | -0.31 | Crippen Calculated Property | |
| logPoct/wat | -0.004 | Crippen Calculated Property | |
| McVol | 93.050 | ml/mol | McGowan Calculated Property |
| Pc | 4456.32 | kPa | Joback Calculated Property |
| Tboil | 497.28 | K | Joback Calculated Property |
| Tc | 661.20 | K | Joback Calculated Property |
| Tfus | 237.75 | K | Joback Calculated Property |
| Vc | 0.342 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [213.59; 256.38] | J/mol×K | [497.28; 661.20] | 
|
| Cp,gas | 213.59 | J/mol×K | 497.28 | Joback Calculated Property |
| Cp,gas | 221.48 | J/mol×K | 524.60 | Joback Calculated Property |
| Cp,gas | 229.06 | J/mol×K | 551.92 | Joback Calculated Property |
| Cp,gas | 236.33 | J/mol×K | 579.24 | Joback Calculated Property |
| Cp,gas | 243.30 | J/mol×K | 606.56 | Joback Calculated Property |
| Cp,gas | 249.98 | J/mol×K | 633.88 | Joback Calculated Property |
| Cp,gas | 256.38 | J/mol×K | 661.20 | Joback Calculated Property |
| η | [0.0000920; 1.1462269] | Pa×s | [237.75; 497.28] |
|
| η | 1.1462269 | Pa×s | 237.75 | Joback Calculated Property |
| η | 0.0710068 | Pa×s | 281.00 | Joback Calculated Property |
| η | 0.0092386 | Pa×s | 324.26 | Joback Calculated Property |
| η | 0.0019427 | Pa×s | 367.51 | Joback Calculated Property |
| η | 0.0005673 | Pa×s | 410.77 | Joback Calculated Property |
| η | 0.0002095 | Pa×s | 454.02 | Joback Calculated Property |
| η | 0.0000920 | Pa×s | 497.28 | Joback Calculated Property |
| ΔvapH | 62.40 | kJ/mol | 480.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [365.52; 510.35] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.54693e+01 | |||
| Coefficient B | -4.44571e+03 | |||
| Coefficient C | -7.26860e+01 | |||
| Temperature range, min. | 365.52 | |||
| Temperature range, max. | 510.35 | |||
| Pvap | 1.33 | kPa | 365.52 | Calculated Property |
| Pvap | 2.94 | kPa | 381.61 | Calculated Property |
| Pvap | 6.00 | kPa | 397.70 | Calculated Property |
| Pvap | 11.43 | kPa | 413.80 | Calculated Property |
| Pvap | 20.56 | kPa | 429.89 | Calculated Property |
| Pvap | 35.16 | kPa | 445.98 | Calculated Property |
| Pvap | 57.52 | kPa | 462.07 | Calculated Property |
| Pvap | 90.48 | kPa | 478.17 | Calculated Property |
| Pvap | 137.51 | kPa | 494.26 | Calculated Property |
| Pvap | 202.64 | kPa | 510.35 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Butanediol, 2-methyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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