- InChI
- InChI=1S/C22H46/c1-5-9-12-14-16-19-21(17-8-4)22(18-11-7-3)20-15-13-10-6-2/h21-22H,5-20H2,1-4H3
- InChI Key
- KUXSWZYLORXKEG-UHFFFAOYSA-N
- Formula
- C22H46
- SMILES
- CCCCCCCC(CCC)C(CCCC)CCCCCC
- Molecular Weight1
- 310.61
- 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 | 0.8154 | Relay (1.0) Calculated Property | |
| ΔfG° | 129.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -469.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.39 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.75 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.540 | Crippen Calculated Property | |
| McVol | 320.840 | ml/mol | McGowan Calculated Property |
| Pc | 910.53 | kPa | Joback Calculated Property |
| Inp | [1916.00; 1916.00] |
|
|
| Inp | 1916.00 | NIST | |
| Inp | 1916.00 | NIST | |
| Tboil | 590.30 | K | Relay (1.0) Calculated Property |
| Tc | 763.47 | K | Relay (1.0) Calculated Property |
| Tfus | 231.88 | K | Relay (1.0) Calculated Property |
| Vc | 1.215 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [471.56; 1155.41] | 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 | -2.04740e+01 | |||
| Coefficient B | 2.10568e+00 | |||
| Coefficient C | -1.17940e-03 | |||
| Coefficient D | 2.49600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 471.56 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 587.91 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 692.33 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 785.60 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 868.52 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 941.87 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1006.45 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1063.03 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1112.42 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1155.41 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0057276; 0.0001110] | Pa×s | [307.70; 607.83] |
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 | -1.31495e+01 | |||
| Coefficient B | 2.45760e+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. | 307.70 | |||
| Temperature range, max. | 607.83 | |||
| η | 0.0057276 | Pa×s | 307.70 | Calculated Property |
| η | 0.0026230 | Pa×s | 341.05 | Calculated Property |
| η | 0.0013805 | Pa×s | 374.40 | Calculated Property |
| η | 0.0008070 | Pa×s | 407.74 | Calculated Property |
| η | 0.0005117 | Pa×s | 441.09 | Calculated Property |
| η | 0.0003459 | Pa×s | 474.44 | Calculated Property |
| η | 0.0002461 | Pa×s | 507.79 | Calculated Property |
| η | 0.0001827 | Pa×s | 541.13 | Calculated Property |
| η | 0.0001403 | Pa×s | 574.48 | Calculated Property |
| η | 0.0001110 | Pa×s | 607.83 | Calculated Property |
Similar Compounds
Find more compounds similar to Pentadecane, 7-butyl-8-propyl.
Sources
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