- InChI
- InChI=1S/C38H78/c1-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-34-38(4)36-32-35-37(3)33-30-28-26-24-22-16-14-12-10-8-6-2/h37-38H,5-36H2,1-4H3
- InChI Key
- NCMOJTFRJLJYAH-UHFFFAOYSA-N
- Formula
- C38H78
- SMILES
-
CCCCCCCCCCCCCCCCCCC(C)CCCC(C)C
CCCCCCCCCCCC - Molecular Weight1
- 535.03
- 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 | 1.4049 | Relay (1.0) Calculated Property | |
| ΔfG° | 264.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -858.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 87.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 180.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.19 | eV | Relay (1.0) Calculated Property |
| log10WS | -13.39 | Relay (1.0) Calculated Property | |
| logPoct/wat | 14.782 | Crippen Calculated Property | |
| McVol | 546.280 | ml/mol | McGowan Calculated Property |
| Pc | 425.12 | kPa | Joback Calculated Property |
| Inp | [3655.00; 3655.00] |
|
|
| Inp | 3655.00 | NIST | |
| Inp | 3655.00 | NIST | |
| Inp | 3655.00 | NIST | |
| Tboil | 690.45 | K | Relay (1.0) Calculated Property |
| Tc | 860.87 | K | Relay (1.0) Calculated Property |
| Tfus | 294.23 | K | Relay (1.0) Calculated Property |
| Vc | 2.130 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [810.98; 1980.86] | 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 | -3.50180e+01 | |||
| Coefficient B | 3.62568e+00 | |||
| Coefficient C | -2.04980e-03 | |||
| Coefficient D | 4.40000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 810.98 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 1010.60 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1189.57 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1349.27 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1491.10 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1616.45 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1726.71 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1823.27 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1907.52 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1980.86 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0004682; 0.0000083] | Pa×s | [488.02; 968.45] |
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 | -1.57897e+01 | |||
| Coefficient B | 3.96416e+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. | 488.02 | |||
| Temperature range, max. | 968.45 | |||
| η | 0.0004682 | Pa×s | 488.02 | Calculated Property |
| η | 0.0002102 | Pa×s | 541.40 | Calculated Property |
| η | 0.0001089 | Pa×s | 594.78 | Calculated Property |
| η | 0.0000629 | Pa×s | 648.16 | Calculated Property |
| η | 0.0000395 | Pa×s | 701.54 | Calculated Property |
| η | 0.0000265 | Pa×s | 754.92 | Calculated Property |
| η | 0.0000187 | Pa×s | 808.30 | Calculated Property |
| η | 0.0000138 | Pa×s | 861.68 | Calculated Property |
| η | 0.0000106 | Pa×s | 915.07 | Calculated Property |
| η | 0.0000083 | Pa×s | 968.45 | Calculated Property |
Similar Compounds
Find more compounds similar to 14,18-dimethyl-hexatriacontane.
Sources
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