- InChI
- InChI=1S/C13H28/c1-7-10(4)12(6)13(9-3)11(5)8-2/h10-13H,7-9H2,1-6H3
- InChI Key
- HZHQAPYQJPNACQ-UHFFFAOYSA-N
- Formula
- C13H28
- SMILES
- CCC(C)C(C)C(CC)C(C)CC
- Molecular Weight1
- 184.36
- 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).
- 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 | 0.4469 | Relay (1.0) Calculated Property | |
| ΔfG° | 48.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -292.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.53 | kJ/mol | Relay (1.0) Calculated Property |
| log10WS | -5.74 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.741 | Crippen Calculated Property | |
| McVol | 194.030 | ml/mol | McGowan Calculated Property |
| Pc | 1687.95 | kPa | Joback Calculated Property |
| Inp | [936.00; 936.00] |
|
|
| Inp | 936.00 | NIST | |
| Inp | 936.00 | NIST | |
| Tboil | 480.81 | K | Relay (1.0) Calculated Property |
| Tc | 663.14 | K | Relay (1.0) Calculated Property |
| Tfus | 194.72 | K | Relay (1.0) Calculated Property |
| Vc | 0.681 | m3/kmol | Relay (1.0) Calculated Property |
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Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [280.00; 692.16] | 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 | -1.56570e+01 | |||
| Coefficient B | 1.26252e+00 | |||
| Coefficient C | -6.96200e-04 | |||
| Coefficient D | 1.41500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 280.00 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 350.12 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 413.12 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 469.44 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 519.53 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 563.83 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 602.80 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 636.88 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 666.52 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 692.16 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0754463; 0.0001944] | Pa×s | [176.27; 467.97] |
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 | -1.21481e+01 | |||
| Coefficient B | 1.68580e+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. | 176.27 | |||
| Temperature range, max. | 467.97 | |||
| η | 0.0754463 | Pa×s | 176.27 | Calculated Property |
| η | 0.0170822 | Pa×s | 208.68 | Calculated Property |
| η | 0.0057663 | Pa×s | 241.09 | Calculated Property |
| η | 0.0025179 | Pa×s | 273.50 | Calculated Property |
| η | 0.0013105 | Pa×s | 305.91 | Calculated Property |
| η | 0.0007729 | Pa×s | 338.33 | Calculated Property |
| η | 0.0005000 | Pa×s | 370.74 | Calculated Property |
| η | 0.0003469 | Pa×s | 403.15 | Calculated Property |
| η | 0.0002541 | Pa×s | 435.56 | Calculated Property |
| η | 0.0001944 | Pa×s | 467.97 | Calculated Property |
Similar Compounds
Find more compounds similar to 4,5-dimethyl-2,3-diethylheptane.
Sources
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