- InChI
- InChI=1S/C38H78/c1-6-8-10-12-14-16-18-19-20-21-23-25-27-29-32-37(4)35-38(5)34-30-33-36(3)31-28-26-24-22-17-15-13-11-9-7-2/h36-38H,6-35H2,1-5H3
- InChI Key
- NMPFISVLZZQDQF-UHFFFAOYSA-N
- Formula
- C38H78
- SMILES
-
CCCCCCCCCCCCCCCCC(C)CC(C)CCCC(
C)CCCCCCCCCCCC - Molecular Weight1
- 535.04
- 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 | 1.3670 | Relay (1.0) Calculated Property | |
| ΔfG° | 261.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -874.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 83.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 173.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.17 | eV | Relay (1.0) Calculated Property |
| log10WS | -13.27 | Relay (1.0) Calculated Property | |
| logPoct/wat | 14.637 | Crippen Calculated Property | |
| McVol | 546.280 | ml/mol | McGowan Calculated Property |
| Pc | 426.53 | kPa | Joback Calculated Property |
| Inp | [3785.00; 3785.00] |
|
|
| Inp | 3785.00 | NIST | |
| Inp | 3785.00 | NIST | |
| Tboil | 690.86 | K | Relay (1.0) Calculated Property |
| Tc | 863.70 | K | Relay (1.0) Calculated Property |
| Tfus | 277.09 | K | Relay (1.0) Calculated Property |
| Vc | 2.109 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [810.66; 1981.40] | 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 | -3.67000e+01 | |||
| Coefficient B | 3.63160e+00 | |||
| Coefficient C | -2.05300e-03 | |||
| Coefficient D | 4.39500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 810.66 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 1010.59 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1189.81 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1349.72 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1491.70 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1617.15 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1727.46 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1824.01 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1908.19 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1981.40 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0005738; 0.0000077] | Pa×s | [473.02; 964.26] |
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 | -1.59237e+01 | |||
| Coefficient B | 4.00198e+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. | 473.02 | |||
| Temperature range, max. | 964.26 | |||
| η | 0.0005738 | Pa×s | 473.02 | Calculated Property |
| η | 0.0002391 | Pa×s | 527.60 | Calculated Property |
| η | 0.0001174 | Pa×s | 582.18 | Calculated Property |
| η | 0.0000652 | Pa×s | 636.77 | Calculated Property |
| η | 0.0000397 | Pa×s | 691.35 | Calculated Property |
| η | 0.0000260 | Pa×s | 745.93 | Calculated Property |
| η | 0.0000180 | Pa×s | 800.51 | Calculated Property |
| η | 0.0000131 | Pa×s | 855.09 | Calculated Property |
| η | 0.0000099 | Pa×s | 909.68 | Calculated Property |
| η | 0.0000077 | Pa×s | 964.26 | Calculated Property |
Similar Compounds
Find more compounds similar to 17,19,23-trimethylheptatriacontane.
Sources
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