- 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
- 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).
- 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 |
|---|---|---|---|
| ω | 0.5442 | Relay (1.0) Calculated Property | |
| ΔfG° | -127.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -392.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.45 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.88 | Relay (1.0) 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 | 436.20 | K | Relay (1.0) Calculated Property |
| Tc | 623.96 | K | Relay (1.0) Calculated Property |
| Tfus | 240.45 | K | Relay (1.0) Calculated Property |
| Vc | 0.456 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [186.75; 452.34] | 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 | -4.13900e+00 | |||
| Coefficient B | 8.15580e-01 | |||
| Coefficient C | -4.51400e-04 | |||
| Coefficient D | 9.23000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 186.75 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 231.99 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 272.61 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 308.91 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 341.18 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 369.72 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 394.81 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 416.75 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 435.83 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 452.34 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.9006667; 0.0002098] | Pa×s | [195.74; 450.21] |
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 | -1.49037e+01 | |||
| Coefficient B | 2.89677e+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. | 195.74 | |||
| Temperature range, max. | 450.21 | |||
| η | 0.9006667 | Pa×s | 195.74 | Calculated Property |
| η | 0.1391038 | Pa×s | 224.01 | Calculated Property |
| η | 0.0326548 | Pa×s | 252.29 | Calculated Property |
| η | 0.0102663 | Pa×s | 280.56 | Calculated Property |
| η | 0.0039893 | Pa×s | 308.84 | Calculated Property |
| η | 0.0018165 | Pa×s | 337.11 | Calculated Property |
| η | 0.0009342 | Pa×s | 365.39 | Calculated Property |
| η | 0.0005286 | Pa×s | 393.66 | Calculated Property |
| η | 0.0003229 | Pa×s | 421.94 | Calculated Property |
| η | 0.0002098 | Pa×s | 450.21 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [330.97; 469.82] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| 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
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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