- InChI
- InChI=1S/C32H66/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-29-31-32(3)30-28-7-5-2/h32H,4-31H2,1-3H3
- InChI Key
- XMFONVNUJVSQRV-UHFFFAOYSA-N
- Formula
- C32H66
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCC(C)C
CCCC - Molecular Weight1
- 450.87
- 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 | 1.2370 | Relay (1.0) Calculated Property | |
| ΔfG° | 216.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -715.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 75.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 157.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.14 | eV | Relay (1.0) Calculated Property |
| log10WS | -11.83 | Relay (1.0) Calculated Property | |
| logPoct/wat | 12.585 | Crippen Calculated Property | |
| McVol | 461.740 | ml/mol | McGowan Calculated Property |
| Pc | 545.39 | kPa | Joback Calculated Property |
| Inp | [3143.00; 3143.00] |
|
|
| Inp | 3143.00 | NIST | |
| Inp | 3143.00 | NIST | |
| Inp | 3143.00 | NIST | |
| Tboil | 651.33 | K | Relay (1.0) Calculated Property |
| Tc | 825.21 | K | Relay (1.0) Calculated Property |
| Tfus | 301.99 | K | Relay (1.0) Calculated Property |
| Vc | 1.820 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [684.01; 1670.78] | 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 | -2.78820e+01 | |||
| Coefficient B | 3.04976e+00 | |||
| Coefficient C | -1.72020e-03 | |||
| Coefficient D | 3.69100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 684.01 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 852.10 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1002.86 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1137.44 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1257.03 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1362.78 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1455.86 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1537.44 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1608.69 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1670.78 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0009952; 0.0000281] | Pa×s | [435.40; 809.14] |
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 | -1.46328e+01 | |||
| Coefficient B | 3.36138e+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. | 435.40 | |||
| Temperature range, max. | 809.14 | |||
| η | 0.0009952 | Pa×s | 435.40 | Calculated Property |
| η | 0.0005081 | Pa×s | 476.93 | Calculated Property |
| η | 0.0002889 | Pa×s | 518.45 | Calculated Property |
| η | 0.0001786 | Pa×s | 559.98 | Calculated Property |
| η | 0.0001180 | Pa×s | 601.51 | Calculated Property |
| η | 0.0000823 | Pa×s | 643.03 | Calculated Property |
| η | 0.0000599 | Pa×s | 684.56 | Calculated Property |
| η | 0.0000452 | Pa×s | 726.09 | Calculated Property |
| η | 0.0000352 | Pa×s | 767.62 | Calculated Property |
| η | 0.0000281 | Pa×s | 809.14 | Calculated Property |
Similar Compounds
Find more compounds similar to 6-Methylhentriacontane.
Sources
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