- InChI
- InChI=1S/C33H68/c1-9-10-11-18-29(4)20-13-22-31(6)24-15-26-33(8)27-16-25-32(7)23-14-21-30(5)19-12-17-28(2)3/h28-33H,9-27H2,1-8H3
- InChI Key
- DOVPAFXEHSNDHT-UHFFFAOYSA-N
- Formula
- C33H68
- SMILES
-
CCCCCC(C)CCCC(C)CCCC(C)CCCC(C)
CCCC(C)CCCC(C)C - Molecular Weight1
- 464.89
- 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 | 1.0738 | Relay (1.0) Calculated Property | |
| ΔfG° | 212.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -855.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 60.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 138.14 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.81 | eV | Relay (1.0) Calculated Property |
| log10WS | -11.75 | Relay (1.0) Calculated Property | |
| logPoct/wat | 12.255 | Crippen Calculated Property | |
| McVol | 475.830 | ml/mol | McGowan Calculated Property |
| Pc | 531.40 | kPa | Joback Calculated Property |
| Inp | [2870.00; 2885.00] |
|
|
| Inp | 2885.00 | NIST | |
| Inp | 2870.00 | NIST | |
| Inp | 2885.00 | NIST | |
| Tboil | 667.67 | K | Relay (1.0) Calculated Property |
| Tc | 832.67 | K | Relay (1.0) Calculated Property |
| Tfus | 228.43 | K | Relay (1.0) Calculated Property |
| Vc | 1.804 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [703.65; 1725.06] | 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 | -3.72010e+01 | |||
| Coefficient B | 3.17436e+00 | |||
| Coefficient C | -1.79060e-03 | |||
| Coefficient D | 3.78500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 703.65 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 878.47 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1035.16 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1174.93 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1298.96 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1408.46 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1504.62 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1588.65 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1661.73 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1725.06 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0034650; 0.0000159] | Pa×s | [371.67; 823.63] |
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 | -1.54712e+01 | |||
| Coefficient B | 3.64464e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 371.67 | |||
| Temperature range, max. | 823.63 | |||
| η | 0.0034650 | Pa×s | 371.67 | Calculated Property |
| η | 0.0010784 | Pa×s | 421.89 | Calculated Property |
| η | 0.0004302 | Pa×s | 472.11 | Calculated Property |
| η | 0.0002048 | Pa×s | 522.32 | Calculated Property |
| η | 0.0001111 | Pa×s | 572.54 | Calculated Property |
| η | 0.0000665 | Pa×s | 622.76 | Calculated Property |
| η | 0.0000429 | Pa×s | 672.98 | Calculated Property |
| η | 0.0000295 | Pa×s | 723.20 | Calculated Property |
| η | 0.0000213 | Pa×s | 773.42 | Calculated Property |
| η | 0.0000159 | Pa×s | 823.63 | Calculated Property |
Similar Compounds
Find more compounds similar to Heptacosane, 2,6,10,14,18,22-hexamethyl.
Sources
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