- InChI
- InChI=1S/C34H70/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-31-33-34(3)32-30-7-5-2/h34H,4-33H2,1-3H3
- InChI Key
- FTNIRHVBDIZYHN-UHFFFAOYSA-N
- Formula
- C34H70
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCCCC(C
)CCCCC - Molecular Weight1
- 478.92
- 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 | 1.3071 | Relay (1.0) Calculated Property | |
| ΔfG° | 232.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -756.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 80.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 167.41 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -12.38 | Relay (1.0) Calculated Property | |
| logPoct/wat | 13.365 | Crippen Calculated Property | |
| McVol | 489.920 | ml/mol | McGowan Calculated Property |
| Pc | 499.58 | kPa | Joback Calculated Property |
| Inp | [3344.00; 3344.00] |
|
|
| Inp | 3344.00 | NIST | |
| Inp | 3344.00 | NIST | |
| Inp | 3344.00 | NIST | |
| Tboil | 663.75 | K | Relay (1.0) Calculated Property |
| Tc | 836.67 | K | Relay (1.0) Calculated Property |
| Tfus | 305.72 | K | Relay (1.0) Calculated Property |
| Vc | 1.929 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [726.44; 1773.96] | 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 | -2.97000e+01 | |||
| Coefficient B | 3.23976e+00 | |||
| Coefficient C | -1.82900e-03 | |||
| Coefficient D | 3.92900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 726.44 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 904.94 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1065.01 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1207.90 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1334.85 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1447.10 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1545.89 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1632.47 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1708.08 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1773.96 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0007325; 0.0000196] | Pa×s | [457.94; 858.92] |
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 | -1.49704e+01 | |||
| Coefficient B | 3.54970e+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. | 457.94 | |||
| Temperature range, max. | 858.92 | |||
| η | 0.0007325 | Pa×s | 457.94 | Calculated Property |
| η | 0.0003684 | Pa×s | 502.49 | Calculated Property |
| η | 0.0002072 | Pa×s | 547.05 | Calculated Property |
| η | 0.0001271 | Pa×s | 591.60 | Calculated Property |
| η | 0.0000835 | Pa×s | 636.15 | Calculated Property |
| η | 0.0000580 | Pa×s | 680.71 | Calculated Property |
| η | 0.0000421 | Pa×s | 725.26 | Calculated Property |
| η | 0.0000317 | Pa×s | 769.81 | Calculated Property |
| η | 0.0000246 | Pa×s | 814.36 | Calculated Property |
| η | 0.0000196 | Pa×s | 858.92 | Calculated Property |
Similar Compounds
Find more compounds similar to 6-Methyltritriacontane.
Sources
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