- InChI
- InChI=1S/C7H16O/c1-4-5-7(8)6(2)3/h6-8H,4-5H2,1-3H3
- InChI Key
- RGRUUTLDBCWYBL-UHFFFAOYSA-N
- Formula
- C7H16O
- SMILES
- CCCC(O)C(C)C
- Molecular Weight1
- 116.20
- CAS
- 617-29-8
- Other Names
-
- 1-Isopropyl-1-butanol
- 2-Methyl-3-hexanol
- 2-Methylhexan-3-ol
- 5-Methyl-4-hexanol
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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° | -133.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -350.60 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.08 | kJ/mol | Joback Calculated Property |
| log10WS | -1.89 | Crippen Calculated Property | |
| logPoct/wat | 1.803 | Crippen Calculated Property | |
| McVol | 115.360 | ml/mol | McGowan Calculated Property |
| Pc | 3149.09 | kPa | Joback Calculated Property |
| Inp | [852.00; 858.00] |
|
|
| Inp | 858.00 | NIST | |
| Inp | 852.00 | NIST | |
| Inp | 854.00 | NIST | |
| Inp | 858.00 | NIST | |
| Inp | 858.00 | NIST | |
| Inp | 858.00 | NIST | |
| Inp | 858.00 | NIST | |
| Inp | 853.00 | NIST | |
| Inp | 858.00 | NIST | |
| Tboil | [413.90; 427.15] | K |
|
| Tboil | 413.90 ± 2.00 | K | NIST |
| Tboil | 417.00 ± 3.00 | K | NIST |
| Tboil | 418.65 ± 3.00 | K | NIST |
| Tboil | 414.65 ± 3.00 | K | NIST |
| Tboil | Outlier 427.15 ± 5.00 | K | NIST |
| Tboil | 414.65 ± 3.00 | K | NIST |
| Tc | 618.05 | K | Joback Calculated Property |
| Tfus | 199.47 | K | Joback Calculated Property |
| Vc | 0.434 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [248.03; 308.82] | J/mol×K | [450.86; 618.05] |
|
| Cp,gas | 248.03 | J/mol×K | 450.86 | Joback Calculated Property |
| Cp,gas | 259.20 | J/mol×K | 478.73 | Joback Calculated Property |
| Cp,gas | 269.95 | J/mol×K | 506.59 | Joback Calculated Property |
| Cp,gas | 280.27 | J/mol×K | 534.46 | Joback Calculated Property |
| Cp,gas | 290.18 | J/mol×K | 562.32 | Joback Calculated Property |
| Cp,gas | 299.70 | J/mol×K | 590.19 | Joback Calculated Property |
| Cp,gas | 308.82 | J/mol×K | 618.05 | Joback Calculated Property |
| Cp,liquid | [270.20; 375.80] | J/mol×K | [261.93; 382.85] |
|
| Cp,liquid | 270.50 | J/mol×K | 261.93 | Calorim... |
| Cp,liquid | 270.20 | J/mol×K | 262.30 | Calorim... |
| Cp,liquid | 273.80 | J/mol×K | 265.00 | Calorim... |
| Cp,liquid | 274.50 | J/mol×K | 265.00 | Calorim... |
| Cp,liquid | 280.80 | J/mol×K | 270.00 | Calorim... |
| Cp,liquid | 281.30 | J/mol×K | 270.00 | Calorim... |
| Cp,liquid | 288.80 | J/mol×K | 275.00 | Calorim... |
| Cp,liquid | 288.30 | J/mol×K | 275.00 | Calorim... |
| Cp,liquid | 295.90 | J/mol×K | 280.00 | Calorim... |
| Cp,liquid | 296.40 | J/mol×K | 280.00 | Calorim... |
| Cp,liquid | 303.70 | J/mol×K | 285.00 | Calorim... |
| Cp,liquid | 304.20 | J/mol×K | 285.00 | Calorim... |
| Cp,liquid | 311.90 | J/mol×K | 290.00 | Calorim... |
| Cp,liquid | 312.50 | J/mol×K | 290.00 | Calorim... |
| Cp,liquid | 319.90 | J/mol×K | 295.00 | Calorim... |
| Cp,liquid | 320.60 | J/mol×K | 295.00 | Calorim... |
| Cp,liquid | 327.40 | J/mol×K | 300.00 | Calorim... |
| Cp,liquid | 328.40 | J/mol×K | 300.00 | Calorim... |
| Cp,liquid | 334.80 | J/mol×K | 305.00 | Calorim... |
| Cp,liquid | 335.60 | J/mol×K | 305.00 | Calorim... |
| Cp,liquid | 342.60 | J/mol×K | 310.00 | Calorim... |
| Cp,liquid | 341.80 | J/mol×K | 310.00 | Calorim... |
| Cp,liquid | 348.60 | J/mol×K | 315.00 | Calorim... |
| Cp,liquid | 349.10 | J/mol×K | 315.00 | Calorim... |
| Cp,liquid | 353.90 | J/mol×K | 320.00 | Calorim... |
| Cp,liquid | 354.60 | J/mol×K | 320.00 | Calorim... |
| Cp,liquid | 359.50 | J/mol×K | 325.00 | Calorim... |
| Cp,liquid | 358.70 | J/mol×K | 325.00 | Calorim... |
| Cp,liquid | 362.80 | J/mol×K | 330.00 | Calorim... |
| Cp,liquid | 363.70 | J/mol×K | 330.00 | Calorim... |
| Cp,liquid | 366.10 | J/mol×K | 335.00 | Calorim... |
| Cp,liquid | 367.20 | J/mol×K | 335.00 | Calorim... |
| Cp,liquid | 368.40 | J/mol×K | 340.00 | Calorim... |
| Cp,liquid | 369.60 | J/mol×K | 340.00 | Calorim... |
| Cp,liquid | 371.70 | J/mol×K | 345.00 | Calorim... |
| Cp,liquid | 370.50 | J/mol×K | 345.00 | Calorim... |
| Cp,liquid | 372.50 | J/mol×K | 350.00 | Calorim... |
| Cp,liquid | 373.70 | J/mol×K | 350.00 | Calorim... |
| Cp,liquid | 373.90 | J/mol×K | 355.00 | Calorim... |
| Cp,liquid | 375.10 | J/mol×K | 355.00 | Calorim... |
| Cp,liquid | 375.70 | J/mol×K | 360.00 | Calorim... |
| Cp,liquid | 374.50 | J/mol×K | 360.00 | Calorim... |
| Cp,liquid | 374.60 | J/mol×K | 365.00 | Calorim... |
| Cp,liquid | 375.80 | J/mol×K | 365.00 | Calorim... |
| Cp,liquid | 374.20 | J/mol×K | 370.00 | Calorim... |
| Cp,liquid | 375.30 | J/mol×K | 370.00 | Calorim... |
| Cp,liquid | 373.10 | J/mol×K | 375.00 | Calorim... |
| Cp,liquid | 374.20 | J/mol×K | 375.00 | Calorim... |
| Cp,liquid | 371.60 | J/mol×K | 380.00 | Calorim... |
| Cp,liquid | 372.30 | J/mol×K | 380.00 | Calorim... |
| Cp,liquid | 370.50 | J/mol×K | 382.83 | Calorim... |
| Cp,liquid | 370.80 | J/mol×K | 382.85 | Calorim... |
| η | [0.0001931; 0.4386858] | Pa×s | [199.47; 450.86] |
|
| η | 0.4386858 | Pa×s | 199.47 | Joback Calculated Property |
| η | 0.0395574 | Pa×s | 241.37 | Joback Calculated Property |
| η | 0.0072680 | Pa×s | 283.27 | Joback Calculated Property |
| η | 0.0020664 | Pa×s | 325.16 | Joback Calculated Property |
| η | 0.0007829 | Pa×s | 367.06 | Joback Calculated Property |
| η | 0.0003619 | Pa×s | 408.96 | Joback Calculated Property |
| η | 0.0001931 | Pa×s | 450.86 | Joback Calculated Property |
| ΔvapH | 55.70 | kJ/mol | 371.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 415.20 | K | 102.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [323.03; 440.74] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.54383e+01 | |||
| Coefficient B | -3.59470e+03 | |||
| Coefficient C | -8.57700e+01 | |||
| Temperature range, min. | 323.03 | |||
| Temperature range, max. | 440.74 | |||
| Pvap | 1.33 | kPa | 323.03 | Calculated Property |
| Pvap | 2.94 | kPa | 336.11 | Calculated Property |
| Pvap | 6.00 | kPa | 349.19 | Calculated Property |
| Pvap | 11.44 | kPa | 362.27 | Calculated Property |
| Pvap | 20.59 | kPa | 375.35 | Calculated Property |
| Pvap | 35.20 | kPa | 388.42 | Calculated Property |
| Pvap | 57.57 | kPa | 401.50 | Calculated Property |
| Pvap | 90.55 | kPa | 414.58 | Calculated Property |
| Pvap | 137.56 | kPa | 427.66 | Calculated Property |
| Pvap | 202.65 | kPa | 440.74 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Hexanol, 2-methyl-.
Sources
- Crippen Method
- Crippen Method
- Calorimetric and FTIR study of selected aliphatic heptanols
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.