- InChI
- InChI=1S/C14H30O/c1-5-7-8-13(6-2)9-10-14(15)11-12(3)4/h12-15H,5-11H2,1-4H3
- InChI Key
- JKKBSZCOVNFRCQ-UHFFFAOYSA-N
- Formula
- C14H30O
- SMILES
- CCCCC(CC)CCC(O)CC(C)C
- Molecular Weight1
- 214.39
- CAS
- 103-20-8
- Other Names
-
- 7-Ethyl-2-methyl-4-undecanol
- 2-Methyl-7-ethyl-4-undecanol
- 7-Ethyl-2-methyl-4-hendecanol
- 7-ethyl-2-methylundecan-4-ol
- 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 | 0.7375 | Relay (1.0) Calculated Property | |
| ΔfG° | -77.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -526.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.67 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.390 | Crippen Calculated Property | |
| McVol | 213.990 | ml/mol | McGowan Calculated Property |
| Pc | 1671.43 | kPa | Joback Calculated Property |
| Tboil | [533.15; 537.45] | K |
|
| Tboil | 537.45 | K | NIST |
| Tboil | 533.15 | K | NIST |
| Tc | 702.13 | K | Relay (1.0) Calculated Property |
| Tfus | 250.30 | K | Relay (1.0) Calculated Property |
| Vc | 0.786 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [314.03; 761.89] | 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 | -9.59300e+00 | |||
| Coefficient B | 1.38558e+00 | |||
| Coefficient C | -7.77800e-04 | |||
| Coefficient D | 1.63700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 314.03 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 390.49 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 459.07 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 520.29 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 574.65 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 622.69 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 664.91 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 701.84 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 733.99 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 761.89 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0858881; 0.0000989] | Pa×s | [263.36; 542.75] |
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 | -1.55992e+01 | |||
| Coefficient B | 3.46173e+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. | 263.36 | |||
| Temperature range, max. | 542.75 | |||
| η | 0.0858881 | Pa×s | 263.36 | Calculated Property |
| η | 0.0214777 | Pa×s | 294.40 | Calculated Property |
| η | 0.0069965 | Pa×s | 325.45 | Calculated Property |
| η | 0.0027708 | Pa×s | 356.49 | Calculated Property |
| η | 0.0012729 | Pa×s | 387.53 | Calculated Property |
| η | 0.0006562 | Pa×s | 418.58 | Calculated Property |
| η | 0.0003707 | Pa×s | 449.62 | Calculated Property |
| η | 0.0002255 | Pa×s | 480.67 | Calculated Property |
| η | 0.0001457 | Pa×s | 511.71 | Calculated Property |
| η | 0.0000989 | Pa×s | 542.75 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-Undecanol, 7-ethyl-2-methyl-.
Sources
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