- InChI
- InChI=1S/C8H18O/c1-5-7(9)8(3,4)6-2/h7,9H,5-6H2,1-4H3
- InChI Key
- BARKHVPKOOSMNW-UHFFFAOYSA-N
- Formula
- C8H18O
- SMILES
- CCC(O)C(C)(C)CC
- Molecular Weight1
- 130.23
- CAS
- 19550-09-5
- Other Names
-
- 4,4-Dimethyl-3-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° | -119.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -374.71 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 9.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.40 | kJ/mol | Joback Calculated Property |
| log10WS | -2.30 | Crippen Calculated Property | |
| logPoct/wat | 2.194 | Crippen Calculated Property | |
| McVol | 129.450 | ml/mol | McGowan Calculated Property |
| Pc | 2868.87 | kPa | Joback Calculated Property |
| Tboil | 432.35 ± 2.00 | K | NIST |
| Tc | 643.32 | K | Joback Calculated Property |
| Tfus | 228.16 | K | Joback Calculated Property |
| Vc | 0.485 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [292.99; 361.48] | J/mol×K | [470.95; 643.32] | 
|
| Cp,gas | 292.99 | J/mol×K | 470.95 | Joback Calculated Property |
| Cp,gas | 305.85 | J/mol×K | 499.68 | Joback Calculated Property |
| Cp,gas | 318.10 | J/mol×K | 528.41 | Joback Calculated Property |
| Cp,gas | 329.77 | J/mol×K | 557.13 | Joback Calculated Property |
| Cp,gas | 340.87 | J/mol×K | 585.86 | Joback Calculated Property |
| Cp,gas | 351.43 | J/mol×K | 614.59 | Joback Calculated Property |
| Cp,gas | 361.48 | J/mol×K | 643.32 | Joback Calculated Property |
| η | [0.0001719; 0.1736472] | Pa×s | [228.16; 470.95] |
|
| η | 0.1736472 | Pa×s | 228.16 | Joback Calculated Property |
| η | 0.0230030 | Pa×s | 268.62 | Joback Calculated Property |
| η | 0.0051732 | Pa×s | 309.09 | Joback Calculated Property |
| η | 0.0016435 | Pa×s | 349.55 | Joback Calculated Property |
| η | 0.0006624 | Pa×s | 390.02 | Joback Calculated Property |
| η | 0.0003167 | Pa×s | 430.49 | Joback Calculated Property |
| η | 0.0001719 | Pa×s | 470.95 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [326.90; 457.13] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.60470e+01 | |||
| Coefficient B | -4.38545e+03 | |||
| Coefficient C | -4.86260e+01 | |||
| Temperature range, min. | 326.90 | |||
| Temperature range, max. | 457.13 | |||
| Pvap | 1.33 | kPa | 326.90 | Calculated Property |
| Pvap | 2.91 | kPa | 341.37 | Calculated Property |
| Pvap | 5.88 | kPa | 355.84 | Calculated Property |
| Pvap | 11.18 | kPa | 370.31 | Calculated Property |
| Pvap | 20.11 | kPa | 384.78 | Calculated Property |
| Pvap | 34.45 | kPa | 399.25 | Calculated Property |
| Pvap | 56.55 | kPa | 413.72 | Calculated Property |
| Pvap | 89.40 | kPa | 428.19 | Calculated Property |
| Pvap | 136.64 | kPa | 442.66 | Calculated Property |
| Pvap | 202.67 | kPa | 457.13 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Hexanol, 4,4-dimethyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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