- InChI
- InChI=1S/C38H78/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-37-38(3)36-7-5-2/h38H,4-37H2,1-3H3
- InChI Key
- KTPVYUQVWGQPAT-UHFFFAOYSA-N
- Formula
- C38H78
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
CCC(C)CCCC - 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 | 1.4482 | Relay (1.0) Calculated Property | |
| ΔfG° | 266.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -838.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 90.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 186.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.38 | eV | Relay (1.0) Calculated Property |
| log10WS | -13.47 | Relay (1.0) Calculated Property | |
| logPoct/wat | 14.926 | Crippen Calculated Property | |
| McVol | 546.280 | ml/mol | McGowan Calculated Property |
| Pc | 423.73 | kPa | Joback Calculated Property |
| Inp | [3747.00; 3753.00] |
|
|
| Inp | 3747.00 | NIST | |
| Inp | 3749.00 | NIST | |
| Inp | 3753.00 | NIST | |
| Tboil | 688.22 | K | Relay (1.0) Calculated Property |
| Tc | 858.70 | K | Relay (1.0) Calculated Property |
| Tfus | 311.17 | K | Relay (1.0) Calculated Property |
| Vc | 2.147 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [811.29; 1980.32] | 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 | -3.33360e+01 | |||
| Coefficient B | 3.61976e+00 | |||
| Coefficient C | -2.04660e-03 | |||
| Coefficient D | 4.40500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 811.29 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 1010.61 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1189.32 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1348.82 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1490.50 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1615.75 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1725.96 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1822.53 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1906.86 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1980.32 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0003897; 0.0000090] | Pa×s | [503.02; 972.80] |
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 | -1.56557e+01 | |||
| Coefficient B | 3.92634e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 503.02 | |||
| Temperature range, max. | 972.80 | |||
| η | 0.0003897 | Pa×s | 503.02 | Calculated Property |
| η | 0.0001871 | Pa×s | 555.22 | Calculated Property |
| η | 0.0001019 | Pa×s | 607.42 | Calculated Property |
| η | 0.0000611 | Pa×s | 659.61 | Calculated Property |
| η | 0.0000395 | Pa×s | 711.81 | Calculated Property |
| η | 0.0000271 | Pa×s | 764.01 | Calculated Property |
| η | 0.0000195 | Pa×s | 816.21 | Calculated Property |
| η | 0.0000146 | Pa×s | 868.41 | Calculated Property |
| η | 0.0000113 | Pa×s | 920.60 | Calculated Property |
| η | 0.0000090 | Pa×s | 972.80 | Calculated Property |
Similar Compounds
Find more compounds similar to Heptatriacontane, 5-methyl-.
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