- InChI
- InChI=1S/C13H28/c1-5-7-8-9-11-13(4)12(3)10-6-2/h12-13H,5-11H2,1-4H3
- InChI Key
- MYUGNKWRNJTZRU-UHFFFAOYSA-N
- Formula
- C13H28
- SMILES
- CCCCCCC(C)C(C)CCC
- Molecular Weight1
- 184.36
- CAS
- 17312-79-7
- Other Names
-
- 4,5-Dimethylundecane
- 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).
- Inp : Non-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 | 0.5215 | Relay (1.0) Calculated Property | |
| ΔfG° | 53.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -313.86 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.64 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.37 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.45 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.029 | Crippen Calculated Property | |
| McVol | 194.030 | ml/mol | McGowan Calculated Property |
| Pc | 1665.97 | kPa | Joback Calculated Property |
| Inp | [1212.00; 1234.00] |
|
|
| Inp | 1230.00 | NIST | |
| Inp | 1231.00 | NIST | |
| Inp | 1230.40 | NIST | |
| Inp | 1233.60 | NIST | |
| Inp | 1230.00 | NIST | |
| Inp | 1234.00 | NIST | |
| Inp | Outlier 1212.00 | NIST | |
| Inp | 1230.00 | NIST | |
| Inp | 1230.00 | NIST | |
| Tboil | 488.62 | K | Relay (1.0) Calculated Property |
| Tc | 664.33 | K | Relay (1.0) Calculated Property |
| Tfus | 212.61 | K | Relay (1.0) Calculated Property |
| Vc | 0.730 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [280.63; 691.09] | 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 | -1.22930e+01 | |||
| Coefficient B | 1.25068e+00 | |||
| Coefficient C | -6.89800e-04 | |||
| Coefficient D | 1.42500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 280.63 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 350.14 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 412.63 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 468.54 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 518.32 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 562.42 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 601.30 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 635.40 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 665.18 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 691.09 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0170093; 0.0002228] | Pa×s | [206.27; 463.90] |
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 | -1.18801e+01 | |||
| Coefficient B | 1.61016e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 206.27 | |||
| Temperature range, max. | 463.90 | |||
| η | 0.0170093 | Pa×s | 206.27 | Calculated Property |
| η | 0.0065698 | Pa×s | 234.90 | Calculated Property |
| η | 0.0031201 | Pa×s | 263.52 | Calculated Property |
| η | 0.0017146 | Pa×s | 292.15 | Calculated Property |
| η | 0.0010485 | Pa×s | 320.77 | Calculated Property |
| η | 0.0006950 | Pa×s | 349.40 | Calculated Property |
| η | 0.0004902 | Pa×s | 378.02 | Calculated Property |
| η | 0.0003632 | Pa×s | 406.65 | Calculated Property |
| η | 0.0002800 | Pa×s | 435.27 | Calculated Property |
| η | 0.0002228 | Pa×s | 463.90 | Calculated Property |
Similar Compounds
Find more compounds similar to Undecane, 4,5-dimethyl-.
Sources
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