- InChI
- InChI=1S/C8H18O/c1-7(2)5-4-6-8(3)9/h7-9H,4-6H2,1-3H3
- InChI Key
- FCOUHTHQYOMLJT-UHFFFAOYSA-N
- Formula
- C8H18O
- SMILES
- CC(C)CCCC(C)O
- Molecular Weight1
- 130.23
- CAS
- 4730-22-7
- Other Names
-
- 2-Methylheptan-6-ol
- 6-Methyl-2-heptanol
- 6-methylheptan-2-ol
- NSC 75858
- ω : Acentric Factor.
- 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).
- 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).
- Inp : Non-polar retention indices.
- Ip : 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 |
|---|---|---|---|
| ω | 0.6128 | Relay (1.0) Calculated Property | |
| ΔfG° | -125.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -406.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.72 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.97 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.194 | Crippen Calculated Property | |
| McVol | 129.450 | ml/mol | McGowan Calculated Property |
| Pc | 2835.36 | kPa | Joback Calculated Property |
| Inp | [951.00; 960.00] |
|
|
| Inp | 960.00 | NIST | |
| Inp | 960.00 | NIST | |
| Inp | 951.00 | NIST | |
| Inp | 951.00 | NIST | |
| Inp | 960.00 | NIST | |
| Ip | [1352.00; 1381.00] |
|
|
| Ip | 1379.00 | NIST | |
| Ip | 1381.00 | NIST | |
| Ip | 1352.00 | NIST | |
| Ip | 1365.00 | NIST | |
| Tboil | [444.65; 446.65] | K |
|
| Tboil | 444.70 | K | NIST |
| Tboil | 444.95 ± 0.50 | K | NIST |
| Tboil | 444.65 ± 3.00 | K | NIST |
| Tboil | Outlier 446.65 ± 2.00 | K | NIST |
| Tboil | 445.65 ± 3.00 | K | NIST |
| Tboil | 444.65 ± 3.00 | K | NIST |
| Tboil | 444.65 ± 3.00 | K | NIST |
| Tboil | 444.65 ± 3.00 | K | NIST |
| Tc | 612.97 | K | Relay (1.0) Calculated Property |
| Tfus | [168.15; 212.00] | K |
|
| Tfus | 168.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 212.00 ± 5.00 | K | NIST |
| Vc | 0.487 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | 315.10 | J/mol×K | 298.50 | NIST |
| ΔvapH | 55.20 | kJ/mol | 399.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [187.06; 451.80] | 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 | -2.45700e+00 | |||
| Coefficient B | 8.09660e-01 | |||
| Coefficient C | -4.48200e-04 | |||
| Coefficient D | 9.28000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 187.06 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 232.00 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 272.36 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 308.46 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 340.58 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 369.02 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 394.07 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 416.02 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 435.16 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 451.80 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [1.3119017; 0.0002271] | Pa×s | [190.07; 448.14] |
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 | -1.47697e+01 | |||
| Coefficient B | 2.85895e+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. | 190.07 | |||
| Temperature range, max. | 448.14 | |||
| η | 1.3119017 | Pa×s | 190.07 | Calculated Property |
| η | 0.1826574 | Pa×s | 218.75 | Calculated Property |
| η | 0.0401642 | Pa×s | 247.42 | Calculated Property |
| η | 0.0120968 | Pa×s | 276.10 | Calculated Property |
| η | 0.0045664 | Pa×s | 304.77 | Calculated Property |
| η | 0.0020382 | Pa×s | 333.44 | Calculated Property |
| η | 0.0010337 | Pa×s | 362.12 | Calculated Property |
| η | 0.0005792 | Pa×s | 390.79 | Calculated Property |
| η | 0.0003512 | Pa×s | 419.47 | Calculated Property |
| η | 0.0002271 | Pa×s | 448.14 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [342.04; 469.33] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.58531e+01 | |||
| Coefficient B | -4.15750e+03 | |||
| Coefficient C | -7.49440e+01 | |||
| Temperature range, min. | 342.04 | |||
| Temperature range, max. | 469.33 | |||
| Pvap | 1.33 | kPa | 342.04 | Calculated Property |
| Pvap | 2.92 | kPa | 356.18 | Calculated Property |
| Pvap | 5.92 | kPa | 370.33 | Calculated Property |
| Pvap | 11.26 | kPa | 384.47 | Calculated Property |
| Pvap | 20.25 | kPa | 398.61 | Calculated Property |
| Pvap | 34.67 | kPa | 412.76 | Calculated Property |
| Pvap | 56.86 | kPa | 426.90 | Calculated Property |
| Pvap | 89.74 | kPa | 441.04 | Calculated Property |
| Pvap | 136.91 | kPa | 455.19 | Calculated Property |
| Pvap | 202.63 | kPa | 469.33 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Heptanol, 6-methyl-.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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