- InChI
- InChI=1S/C8H18O/c1-5-6(2)7(3)8(4)9/h6-9H,5H2,1-4H3
- InChI Key
- LBJWJHMCZHKLQU-UHFFFAOYSA-N
- Formula
- C8H18O
- SMILES
- CCC(C)C(C)C(C)O
- Molecular Weight1
- 130.23
- CAS
- 19550-05-1
- Other Names
-
- 3,4-Dimethyl-2-hexanol
- 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).
- 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° | -127.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -376.52 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 9.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.92 | kJ/mol | Joback Calculated Property |
| log10WS | -2.06 | Crippen Calculated Property | |
| logPoct/wat | 2.049 | Crippen Calculated Property | |
| McVol | 129.450 | ml/mol | McGowan Calculated Property |
| Pc | 2859.68 | kPa | Joback Calculated Property |
| Tboil | 473.30 | K | Joback Calculated Property |
| Tc | 642.89 | K | Joback Calculated Property |
| Tfus | 195.74 | K | Joback Calculated Property |
| Vc | 0.484 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [290.54; 358.15] | J/mol×K | [473.30; 642.89] | 
|
| Cp,gas | 290.54 | J/mol×K | 473.30 | Joback Calculated Property |
| Cp,gas | 303.02 | J/mol×K | 501.56 | Joback Calculated Property |
| Cp,gas | 314.99 | J/mol×K | 529.83 | Joback Calculated Property |
| Cp,gas | 326.48 | J/mol×K | 558.09 | Joback Calculated Property |
| Cp,gas | 337.49 | J/mol×K | 586.36 | Joback Calculated Property |
| Cp,gas | 348.04 | J/mol×K | 614.62 | Joback Calculated Property |
| Cp,gas | 358.15 | J/mol×K | 642.89 | Joback Calculated Property |
| η | [0.0001533; 0.9006667] | Pa×s | [195.74; 473.30] |
|
| η | 0.9006667 | Pa×s | 195.74 | Joback Calculated Property |
| η | 0.0532070 | Pa×s | 242.00 | Joback Calculated Property |
| η | 0.0077930 | Pa×s | 288.26 | Joback Calculated Property |
| η | 0.0019417 | Pa×s | 334.52 | Joback Calculated Property |
| η | 0.0006781 | Pa×s | 380.78 | Joback Calculated Property |
| η | 0.0002974 | Pa×s | 427.04 | Joback Calculated Property |
| η | 0.0001533 | Pa×s | 473.30 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [330.97; 469.82] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.72814e+01 | |||
| Coefficient B | -5.62191e+03 | |||
| Coefficient C | -1.50000e-01 | |||
| Temperature range, min. | 330.97 | |||
| Temperature range, max. | 469.82 | |||
| Pvap | 1.33 | kPa | 330.97 | Calculated Property |
| Pvap | 2.84 | kPa | 346.40 | Calculated Property |
| Pvap | 5.68 | kPa | 361.83 | Calculated Property |
| Pvap | 10.73 | kPa | 377.25 | Calculated Property |
| Pvap | 19.28 | kPa | 392.68 | Calculated Property |
| Pvap | 33.14 | kPa | 408.11 | Calculated Property |
| Pvap | 54.76 | kPa | 423.54 | Calculated Property |
| Pvap | 87.34 | kPa | 438.96 | Calculated Property |
| Pvap | 134.95 | kPa | 454.39 | Calculated Property |
| Pvap | 202.64 | kPa | 469.82 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Hexanol, 3,4-dimethyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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