- InChI
- InChI=1S/C12H26/c1-5-8-10-12(4,7-3)11-9-6-2/h5-11H2,1-4H3
- InChI Key
- DZSBQMNPPIKBNF-UHFFFAOYSA-N
- Formula
- C12H26
- SMILES
- CCCCC(C)(CC)CCCC
- Molecular Weight1
- 170.33
- CAS
- 14531-16-9
- 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).
- 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 | 0.4710 | Relay (1.0) Calculated Property | |
| ΔfG° | 53.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -290.04 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.29 | kJ/mol | Relay (1.0) Calculated Property |
| log10WS | -6.04 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.783 | Crippen Calculated Property | |
| McVol | 179.940 | ml/mol | McGowan Calculated Property |
| Pc | 1809.23 | kPa | Joback Calculated Property |
| Tboil | 469.26 | K | Relay (1.0) Calculated Property |
| Tc | 640.86 | K | Relay (1.0) Calculated Property |
| Tfus | 181.82 | K | Relay (1.0) Calculated Property |
| Vc | 0.651 | m3/kmol | Relay (1.0) Calculated Property |
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Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [258.59; 639.89] | 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 | -3.24930e+01 | |||
| Coefficient B | 1.26968e+00 | |||
| Coefficient C | -8.00800e-04 | |||
| Coefficient D | 2.03500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 258.59 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 325.48 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 384.73 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 437.00 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 482.92 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 523.14 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 558.31 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 589.06 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 616.03 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 639.89 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0097058; 0.0002531] | Pa×s | [227.42; 448.88] |
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 | -1.20262e+01 | |||
| Coefficient B | 1.68090e+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. | 227.42 | |||
| Temperature range, max. | 448.88 | |||
| η | 0.0097058 | Pa×s | 227.42 | Calculated Property |
| η | 0.0047165 | Pa×s | 252.03 | Calculated Property |
| η | 0.0026060 | Pa×s | 276.63 | Calculated Property |
| η | 0.0015864 | Pa×s | 301.24 | Calculated Property |
| η | 0.0010409 | Pa×s | 325.85 | Calculated Property |
| η | 0.0007246 | Pa×s | 350.46 | Calculated Property |
| η | 0.0005290 | Pa×s | 375.06 | Calculated Property |
| η | 0.0004014 | Pa×s | 399.67 | Calculated Property |
| η | 0.0003145 | Pa×s | 424.28 | Calculated Property |
| η | 0.0002531 | Pa×s | 448.88 | Calculated Property |
Similar Compounds
Find more compounds similar to 5-ethyl-5-methylnonane.
Sources
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