- InChI
- InChI=1S/C17H36/c1-4-7-10-11-13-16-17(14-9-6-3)15-12-8-5-2/h17H,4-16H2,1-3H3
- InChI Key
- PATDGAKYCKVWFJ-UHFFFAOYSA-N
- Formula
- C17H36
- SMILES
- CCCCCCCC(CCCC)CCCCC
- Molecular Weight1
- 240.48
- 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 | 0.6984 | Relay (1.0) Calculated Property | |
| ΔfG° | 89.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -392.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.53 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.44 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.70 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.734 | Crippen Calculated Property | |
| McVol | 250.390 | ml/mol | McGowan Calculated Property |
| Pc | 1238.09 | kPa | Joback Calculated Property |
| Inp | 1581.00 | NIST | |
| Tboil | 551.46 | K | Relay (1.0) Calculated Property |
| Tc | 718.42 | K | Relay (1.0) Calculated Property |
| Tfus | 225.92 | K | Relay (1.0) Calculated Property |
| Vc | 0.961 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [365.80; 896.91] | 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 | -1.42470e+01 | |||
| Coefficient B | 1.62476e+00 | |||
| Coefficient C | -9.04200e-04 | |||
| Coefficient D | 1.90600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 365.80 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 455.83 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 536.69 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 609.00 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 673.36 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 730.36 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 780.62 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 824.72 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 863.29 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 896.91 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0070198; 0.0001917] | Pa×s | [266.35; 524.38] |
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 | -1.22764e+01 | |||
| Coefficient B | 1.94898e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 266.35 | |||
| Temperature range, max. | 524.38 | |||
| η | 0.0070198 | Pa×s | 266.35 | Calculated Property |
| η | 0.0034474 | Pa×s | 295.02 | Calculated Property |
| η | 0.0019203 | Pa×s | 323.69 | Calculated Property |
| η | 0.0011766 | Pa×s | 352.36 | Calculated Property |
| η | 0.0007760 | Pa×s | 381.03 | Calculated Property |
| η | 0.0005425 | Pa×s | 409.70 | Calculated Property |
| η | 0.0003975 | Pa×s | 438.37 | Calculated Property |
| η | 0.0003025 | Pa×s | 467.04 | Calculated Property |
| η | 0.0002377 | Pa×s | 495.71 | Calculated Property |
| η | 0.0001917 | Pa×s | 524.38 | Calculated Property |
Similar Compounds
Find more compounds similar to Tridecane, 6-butyl.
Sources
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