- InChI
- InChI=1S/C20H42/c1-6-15-19(4)20(5)17-14-12-10-8-9-11-13-16-18(3)7-2/h18-20H,6-17H2,1-5H3
- InChI Key
- WKAPQDKEADBEKR-UHFFFAOYSA-N
- Formula
- C20H42
- SMILES
- CCCC(C)C(C)CCCCCCCCCC(C)CC
- Molecular Weight1
- 282.55
- 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 | 0.7392 | Relay (1.0) Calculated Property | |
| ΔfG° | 110.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -485.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.30 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.616 | Crippen Calculated Property | |
| McVol | 292.660 | ml/mol | McGowan Calculated Property |
| Pc | 1031.25 | kPa | Joback Calculated Property |
| Inp | [1903.00; 1903.00] |
|
|
| Inp | 1903.00 | NIST | |
| Inp | 1903.00 | NIST | |
| Tboil | 573.28 | K | Relay (1.0) Calculated Property |
| Tc | 746.92 | K | Relay (1.0) Calculated Property |
| Tfus | 241.49 | K | Relay (1.0) Calculated Property |
| Vc | 1.114 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [428.81; 1052.76] | 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 | -2.03380e+01 | |||
| Coefficient B | 1.92160e+00 | |||
| Coefficient C | -1.07380e-03 | |||
| Coefficient D | 2.25300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 428.81 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 535.06 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 630.42 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 715.59 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 791.30 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 858.25 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 917.16 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 968.74 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1013.71 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1052.76 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0117916; 0.0001274] | Pa×s | [270.16; 575.11] |
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 | -1.29801e+01 | |||
| Coefficient B | 2.30710e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 270.16 | |||
| Temperature range, max. | 575.11 | |||
| η | 0.0117916 | Pa×s | 270.16 | Calculated Property |
| η | 0.0045526 | Pa×s | 304.04 | Calculated Property |
| η | 0.0021273 | Pa×s | 337.93 | Calculated Property |
| η | 0.0011419 | Pa×s | 371.81 | Calculated Property |
| η | 0.0006801 | Pa×s | 405.69 | Calculated Property |
| η | 0.0004387 | Pa×s | 439.58 | Calculated Property |
| η | 0.0003013 | Pa×s | 473.46 | Calculated Property |
| η | 0.0002176 | Pa×s | 507.34 | Calculated Property |
| η | 0.0001637 | Pa×s | 541.23 | Calculated Property |
| η | 0.0001274 | Pa×s | 575.11 | Calculated Property |
Similar Compounds
Find more compounds similar to 3,13,14-trimethylheptadecane.
Sources
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