- InChI
- InChI=1S/C7H16O/c1-3-4-7(2)5-6-8/h7-8H,3-6H2,1-2H3
- InChI Key
- YGZVAQICDGBHMD-UHFFFAOYSA-N
- Formula
- C7H16O
- SMILES
- CCCC(C)CCO
- Molecular Weight1
- 116.20
- CAS
- 13231-81-7
- Other Names
-
- 3-Methyl-1-hexanol
- 3-Methylhexan-1-ol
- 3-Methylhexanol
- 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).
- Inp : Non-polar retention indices.
- I : 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° | -131.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -345.32 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.47 | kJ/mol | Joback Calculated Property |
| log10WS | -1.77 | Crippen Calculated Property | |
| logPoct/wat | 1.805 | Crippen Calculated Property | |
| McVol | 115.360 | ml/mol | McGowan Calculated Property |
| Pc | 3121.00 | kPa | Joback Calculated Property |
| Inp | [895.00; 895.00] |
|
|
| Inp | 895.00 | NIST | |
| Inp | 895.00 | NIST | |
| I | [1413.00; 1413.00] |
|
|
| I | 1413.00 | NIST | |
| I | 1413.00 | NIST | |
| I | 1413.00 | NIST | |
| Tboil | [445.35; 445.35] | K |
|
| Tboil | 445.35 ± 0.50 | K | NIST |
| Tboil | 445.35 ± 0.30 | K | NIST |
| Tc | 615.06 | K | Joback Calculated Property |
| Tfus | 214.47 | K | Joback Calculated Property |
| Vc | 0.441 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [247.92; 307.23] | J/mol×K | [451.30; 615.06] |
|
| Cp,gas | 247.92 | J/mol×K | 451.30 | Joback Calculated Property |
| Cp,gas | 258.79 | J/mol×K | 478.59 | Joback Calculated Property |
| Cp,gas | 269.25 | J/mol×K | 505.89 | Joback Calculated Property |
| Cp,gas | 279.32 | J/mol×K | 533.18 | Joback Calculated Property |
| Cp,gas | 289.00 | J/mol×K | 560.47 | Joback Calculated Property |
| Cp,gas | 298.30 | J/mol×K | 587.77 | Joback Calculated Property |
| Cp,gas | 307.23 | J/mol×K | 615.06 | Joback Calculated Property |
| η | [0.0002018; 0.1594974] | Pa×s | [214.47; 451.30] |
|
| η | 0.1594974 | Pa×s | 214.47 | Joback Calculated Property |
| η | 0.0221021 | Pa×s | 253.94 | Joback Calculated Property |
| η | 0.0052125 | Pa×s | 293.41 | Joback Calculated Property |
| η | 0.0017316 | Pa×s | 332.88 | Joback Calculated Property |
| η | 0.0007266 | Pa×s | 372.36 | Joback Calculated Property |
| η | 0.0003601 | Pa×s | 411.83 | Joback Calculated Property |
| η | 0.0002018 | Pa×s | 451.30 | Joback Calculated Property |
| ΔvapH | 57.40 | kJ/mol | 399.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [348.10; 468.94] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.50588e+01 | |||
| Coefficient B | -3.46319e+03 | |||
| Coefficient C | -1.13641e+02 | |||
| Temperature range, min. | 348.10 | |||
| Temperature range, max. | 468.94 | |||
| Pvap | 1.33 | kPa | 348.10 | Calculated Property |
| Pvap | 2.97 | kPa | 361.53 | Calculated Property |
| Pvap | 6.08 | kPa | 374.95 | Calculated Property |
| Pvap | 11.63 | kPa | 388.38 | Calculated Property |
| Pvap | 20.92 | kPa | 401.81 | Calculated Property |
| Pvap | 35.72 | kPa | 415.23 | Calculated Property |
| Pvap | 58.28 | kPa | 428.66 | Calculated Property |
| Pvap | 91.34 | kPa | 442.09 | Calculated Property |
| Pvap | 138.20 | kPa | 455.51 | Calculated Property |
| Pvap | 202.66 | kPa | 468.94 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Hexanol, 3-methyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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