- InChI
- InChI=1S/C7H16O/c1-4-5-6-7(2,3)8/h8H,4-6H2,1-3H3
- InChI Key
- KRIMXCDMVRMCTC-UHFFFAOYSA-N
- Formula
- C7H16O
- SMILES
- CCCCC(C)(C)O
- Molecular Weight1
- 116.20
- CAS
- 625-23-0
- Other Names
-
- 1,1-Dimethyl-1-pentanol
- 2-Methyl-2-hexanoI
- 2-Methyl-2-hexanol
- 2-Methyl-2-hydroxyhexane
- 2-methylhexan-2-ol
- Butyldimethylcarbinol
- Methyl-2 hexanol-2
- 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.
- I : 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° | -125.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -348.79 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.60 ± 0.40 | kJ/mol | NIST |
| log10WS | [-1.08; -1.08] |
|
|
| log10WS | -1.08 | Aq. Sol... | |
| log10WS | -1.08 | Estimat... | |
| logPoct/wat | 1.948 | Crippen Calculated Property | |
| McVol | 115.360 | ml/mol | McGowan Calculated Property |
| Pc | 3159.72 | kPa | Joback Calculated Property |
| Inp | [782.40; 822.00] |
|
|
| Inp | 785.70 | NIST | |
| Inp | 786.10 | NIST | |
| Inp | 787.00 | NIST | |
| Inp | 782.40 | NIST | |
| Inp | 822.00 | NIST | |
| Inp | 817.00 | NIST | |
| Inp | 818.00 | NIST | |
| Inp | 822.00 | NIST | |
| Inp | 822.00 | NIST | |
| Inp | 817.00 | NIST | |
| Inp | 822.00 | NIST | |
| Inp | 822.00 | NIST | |
| Inp | 817.00 | NIST | |
| Inp | 817.00 | NIST | |
| Inp | 822.00 | NIST | |
| Inp | 817.00 | NIST | |
| I | [1180.00; 1204.00] |
|
|
| I | 1196.00 | NIST | |
| I | 1188.00 | NIST | |
| I | 1180.00 | NIST | |
| I | 1204.00 | NIST | |
| I | 1196.00 | NIST | |
| Tboil | [410.65; 416.25] | K |
|
| Tboil | 414.70 | K | NIST |
| Tboil | 414.15 ± 2.00 | K | NIST |
| Tboil | 415.90 ± 1.00 | K | NIST |
| Tboil | 415.15 ± 1.00 | K | NIST |
| Tboil | 416.25 ± 0.50 | K | NIST |
| Tboil | Outlier 410.65 ± 2.00 | K | NIST |
| Tboil | 415.10 ± 1.00 | K | NIST |
| Tboil | 416.25 ± 0.50 | K | NIST |
| Tboil | 412.15 ± 3.00 | K | NIST |
| Tboil | 414.65 ± 2.00 | K | NIST |
| Tc | 618.48 | K | Joback Calculated Property |
| Tfus | 231.89 | K | Joback Calculated Property |
| Vc | 0.435 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [250.39; 312.34] | J/mol×K | [448.51; 618.48] |
|
| Cp,gas | 250.39 | J/mol×K | 448.51 | Joback Calculated Property |
| Cp,gas | 262.01 | J/mol×K | 476.84 | Joback Calculated Property |
| Cp,gas | 273.08 | J/mol×K | 505.17 | Joback Calculated Property |
| Cp,gas | 283.62 | J/mol×K | 533.50 | Joback Calculated Property |
| Cp,gas | 293.67 | J/mol×K | 561.82 | Joback Calculated Property |
| Cp,gas | 303.23 | J/mol×K | 590.15 | Joback Calculated Property |
| Cp,gas | 312.34 | J/mol×K | 618.48 | Joback Calculated Property |
| Cp,liquid | [263.30; 378.10] | J/mol×K | [261.57; 382.70] |
|
| Cp,liquid | 263.30 | J/mol×K | 261.57 | Calorim... |
| Cp,liquid | 263.70 | J/mol×K | 261.95 | Calorim... |
| Cp,liquid | 267.20 | J/mol×K | 265.00 | Calorim... |
| Cp,liquid | 267.20 | J/mol×K | 265.00 | Calorim... |
| Cp,liquid | 273.30 | J/mol×K | 270.00 | Calorim... |
| Cp,liquid | 273.30 | J/mol×K | 270.00 | Calorim... |
| Cp,liquid | 279.80 | J/mol×K | 275.00 | Calorim... |
| Cp,liquid | 279.80 | J/mol×K | 275.00 | Calorim... |
| Cp,liquid | 286.60 | J/mol×K | 280.00 | Calorim... |
| Cp,liquid | 286.60 | J/mol×K | 280.00 | Calorim... |
| Cp,liquid | 293.90 | J/mol×K | 285.00 | Calorim... |
| Cp,liquid | 293.80 | J/mol×K | 285.00 | Calorim... |
| Cp,liquid | 301.40 | J/mol×K | 290.00 | Calorim... |
| Cp,liquid | 301.40 | J/mol×K | 290.00 | Calorim... |
| Cp,liquid | 309.00 | J/mol×K | 295.00 | Calorim... |
| Cp,liquid | 308.90 | J/mol×K | 295.00 | Calorim... |
| Cp,liquid | 316.30 | J/mol×K | 300.00 | Calorim... |
| Cp,liquid | 316.20 | J/mol×K | 300.00 | Calorim... |
| Cp,liquid | 323.60 | J/mol×K | 305.00 | Calorim... |
| Cp,liquid | 323.50 | J/mol×K | 305.00 | Calorim... |
| Cp,liquid | 330.60 | J/mol×K | 310.00 | Calorim... |
| Cp,liquid | 330.50 | J/mol×K | 310.00 | Calorim... |
| Cp,liquid | 337.30 | J/mol×K | 315.00 | Calorim... |
| Cp,liquid | 337.20 | J/mol×K | 315.00 | Calorim... |
| Cp,liquid | 343.60 | J/mol×K | 320.00 | Calorim... |
| Cp,liquid | 343.60 | J/mol×K | 320.00 | Calorim... |
| Cp,liquid | 349.40 | J/mol×K | 325.00 | Calorim... |
| Cp,liquid | 349.40 | J/mol×K | 325.00 | Calorim... |
| Cp,liquid | 354.60 | J/mol×K | 330.00 | Calorim... |
| Cp,liquid | 354.50 | J/mol×K | 330.00 | Calorim... |
| Cp,liquid | 359.10 | J/mol×K | 335.00 | Calorim... |
| Cp,liquid | 359.00 | J/mol×K | 335.00 | Calorim... |
| Cp,liquid | 363.20 | J/mol×K | 340.00 | Calorim... |
| Cp,liquid | 363.00 | J/mol×K | 340.00 | Calorim... |
| Cp,liquid | 367.20 | J/mol×K | 345.00 | Calorim... |
| Cp,liquid | 366.80 | J/mol×K | 345.00 | Calorim... |
| Cp,liquid | 370.70 | J/mol×K | 349.99 | Calorim... |
| Cp,liquid | 370.20 | J/mol×K | 350.00 | Calorim... |
| Cp,liquid | 373.20 | J/mol×K | 355.00 | Calorim... |
| Cp,liquid | 372.90 | J/mol×K | 355.00 | Calorim... |
| Cp,liquid | 375.20 | J/mol×K | 360.00 | Calorim... |
| Cp,liquid | 374.90 | J/mol×K | 360.00 | Calorim... |
| Cp,liquid | 376.70 | J/mol×K | 365.00 | Calorim... |
| Cp,liquid | 376.40 | J/mol×K | 365.00 | Calorim... |
| Cp,liquid | 377.40 | J/mol×K | 370.00 | Calorim... |
| Cp,liquid | 377.20 | J/mol×K | 370.00 | Calorim... |
| Cp,liquid | 378.00 | J/mol×K | 375.00 | Calorim... |
| Cp,liquid | 377.60 | J/mol×K | 375.00 | Calorim... |
| Cp,liquid | 378.10 | J/mol×K | 379.98 | Calorim... |
| Cp,liquid | 377.80 | J/mol×K | 380.00 | Calorim... |
| Cp,liquid | 377.70 | J/mol×K | 382.70 | Calorim... |
| η | [0.0002207; 0.0985996] | Pa×s | [231.89; 448.51] |
|
| η | 0.0985996 | Pa×s | 231.89 | Joback Calculated Property |
| η | 0.0179763 | Pa×s | 267.99 | Joback Calculated Property |
| η | 0.0049095 | Pa×s | 304.10 | Joback Calculated Property |
| η | 0.0017661 | Pa×s | 340.20 | Joback Calculated Property |
| η | 0.0007730 | Pa×s | 376.30 | Joback Calculated Property |
| η | 0.0003910 | Pa×s | 412.41 | Joback Calculated Property |
| η | 0.0002207 | Pa×s | 448.51 | Joback Calculated Property |
| ΔvapH | 54.50 | kJ/mol | 363.00 | NIST |
| Pvap | [0.03; 0.52] | kPa | [274.40; 306.20] |
|
| Pvap | 0.03 | kPa | 274.40 | Measure... |
| Pvap | 0.04 | kPa | 274.80 | Measure... |
| Pvap | 0.04 | kPa | 276.50 | Measure... |
| Pvap | 0.06 | kPa | 279.50 | Measure... |
| Pvap | 0.07 | kPa | 282.40 | Measure... |
| Pvap | 0.10 | kPa | 285.30 | Measure... |
| Pvap | 0.12 | kPa | 288.30 | Measure... |
| Pvap | 0.16 | kPa | 291.30 | Measure... |
| Pvap | 0.21 | kPa | 294.30 | Measure... |
| Pvap | 0.21 | kPa | 294.40 | Measure... |
| Pvap | 0.29 | kPa | 298.30 | Measure... |
| Pvap | 0.37 | kPa | 301.30 | Measure... |
| Pvap | 0.45 | kPa | 304.30 | Measure... |
| Pvap | 0.52 | kPa | 306.20 | Measure... |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 327.20 | K | 2.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [319.57; 436.48] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.56175e+01 | |||
| Coefficient B | -3.67654e+03 | |||
| Coefficient C | -7.97450e+01 | |||
| Temperature range, min. | 319.57 | |||
| Temperature range, max. | 436.48 | |||
| Pvap | 1.33 | kPa | 319.57 | Calculated Property |
| Pvap | 2.93 | kPa | 332.56 | Calculated Property |
| Pvap | 5.96 | kPa | 345.55 | Calculated Property |
| Pvap | 11.36 | kPa | 358.54 | Calculated Property |
| Pvap | 20.44 | kPa | 371.53 | Calculated Property |
| Pvap | 34.97 | kPa | 384.52 | Calculated Property |
| Pvap | 57.26 | kPa | 397.51 | Calculated Property |
| Pvap | 90.19 | kPa | 410.50 | Calculated Property |
| Pvap | 137.28 | kPa | 423.49 | Calculated Property |
| Pvap | 202.65 | kPa | 436.48 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Hexanol, 2-methyl-.
Sources
- Crippen Method
- Calorimetric and FTIR study of selected aliphatic heptanols
- Measurement and Prediction of Thermochemical Properties. Improved Benson-Type Increments for the Estimation of Enthalpies of Vaporization and Standard Enthalpies of Formation of Aliphatic Alcohols
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility 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
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