- InChI
- InChI=1S/C6H14O2/c1-4(5(2)7)6(3)8/h4-8H,1-3H3
- InChI Key
- RBQLGIKHSXQZTB-UHFFFAOYSA-N
- Formula
- C6H14O2
- SMILES
- CC(O)C(C)C(C)O
- Molecular Weight1
- 118.17
- CAS
- 5683-44-3
- Other Names
-
- 3-Methyl-2,4-pentanediol
- 3-Methylpentanediol-2,4
- 3-methylpentane-2,4-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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- 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° | -281.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -487.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 8.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.14 | kJ/mol | Joback Calculated Property |
| log10WS | -0.84 | Crippen Calculated Property | |
| logPoct/wat | 0.384 | Crippen Calculated Property | |
| McVol | 107.140 | ml/mol | McGowan Calculated Property |
| Pc | 3975.52 | kPa | Joback Calculated Property |
| Inp | 963.00 | NIST | |
| Tboil | 519.72 | K | Joback Calculated Property |
| Tc | 685.78 | K | Joback Calculated Property |
| Tfus | 234.02 | K | Joback Calculated Property |
| Vc | 0.392 | m3/kmol | Joback 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 |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [374.72; 523.66] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.53916e+01 | |||
| Coefficient B | -4.51365e+03 | |||
| Coefficient C | -7.58830e+01 | |||
| Temperature range, min. | 374.72 | |||
| Temperature range, max. | 523.66 | |||
| Pvap | 1.33 | kPa | 374.72 | Calculated Property |
| Pvap | 2.95 | kPa | 391.27 | Calculated Property |
| Pvap | 6.01 | kPa | 407.82 | Calculated Property |
| Pvap | 11.47 | kPa | 424.37 | Calculated Property |
| Pvap | 20.63 | kPa | 440.92 | Calculated Property |
| Pvap | 35.26 | kPa | 457.46 | Calculated Property |
| Pvap | 57.66 | kPa | 474.01 | Calculated Property |
| Pvap | 90.65 | kPa | 490.56 | Calculated Property |
| Pvap | 137.64 | kPa | 507.11 | Calculated Property |
| Pvap | 202.65 | kPa | 523.66 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Pentanediol, 3-methyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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