- InChI
- InChI=1S/C11H24O/c1-6-11(12,7-9(2)3)8-10(4)5/h9-10,12H,6-8H2,1-5H3
- InChI Key
- FHFITCYHABMGHH-UHFFFAOYSA-N
- Formula
- C11H24O
- SMILES
- CCC(O)(CC(C)C)CC(C)C
- Molecular Weight1
- 172.31
- Other Names
-
- 4-ethyl-2,6-dimethyl-4-heptanol
- ω : Acentric Factor.
- 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).
- 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).
- 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 | 0.6322 | Relay (1.0) Calculated Property | |
| ΔfG° | -97.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -453.31 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.75 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.08 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.19 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.220 | Crippen Calculated Property | |
| McVol | 171.720 | ml/mol | McGowan Calculated Property |
| Pc | 2169.38 | kPa | Joback Calculated Property |
| Tboil | 470.72 | K | Relay (1.0) Calculated Property |
| Tc | 652.03 | K | Relay (1.0) Calculated Property |
| Tfus | 276.37 | K | Relay (1.0) Calculated Property |
| Vc | 0.616 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [249.25; 608.04] | 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 | -2.96570e+01 | |||
| Coefficient B | 1.22050e+00 | |||
| Coefficient C | -7.83200e-04 | |||
| Coefficient D | 2.00400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 249.25 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 312.98 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 369.26 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 418.74 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 462.04 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 499.79 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 532.64 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 561.20 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 586.13 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 608.04 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.1456070; 0.0001467] | Pa×s | [246.97; 497.83] |
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 | -1.56207e+01 | |||
| Coefficient B | 3.38197e+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. | 246.97 | |||
| Temperature range, max. | 497.83 | |||
| η | 0.1456070 | Pa×s | 246.97 | Calculated Property |
| η | 0.0363126 | Pa×s | 274.84 | Calculated Property |
| η | 0.0116950 | Pa×s | 302.72 | Calculated Property |
| η | 0.0045595 | Pa×s | 330.59 | Calculated Property |
| η | 0.0020580 | Pa×s | 358.46 | Calculated Property |
| η | 0.0010419 | Pa×s | 386.33 | Calculated Property |
| η | 0.0005781 | Pa×s | 414.21 | Calculated Property |
| η | 0.0003455 | Pa×s | 442.08 | Calculated Property |
| η | 0.0002195 | Pa×s | 469.95 | Calculated Property |
| η | 0.0001467 | Pa×s | 497.83 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-Heptanol, 4-ethyl-2,6-dimethyl-.
Sources
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