- InChI
- InChI=1S/C27H54/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15H,3-12,14,16-27H2,1-2H3/b15-13+
- InChI Key
- DMNHSFVSMNJNLJ-FYWRMAATSA-N
- Formula
- C27H54
- SMILES
- CCCCCC/C=C/CCCCCCCCCCCCCCCCCCC
- Molecular Weight1
- 378.73
- 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 | 1.0343 | Relay (1.0) Calculated Property | |
| ΔfG° | 256.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -500.86 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 65.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 135.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -10.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 10.555 | Crippen Calculated Property | |
| McVol | 386.990 | ml/mol | McGowan Calculated Property |
| Pc | 708.09 | kPa | Joback Calculated Property |
| Inp | [2676.00; 2681.00] |
|
|
| Inp | 2678.86 | NIST | |
| Inp | 2681.00 | NIST | |
| Inp | 2676.00 | NIST | |
| Inp | 2681.00 | NIST | |
| Inp | 2678.86 | NIST | |
| Tboil | 619.62 | K | Relay (1.0) Calculated Property |
| Tc | 801.93 | K | Relay (1.0) Calculated Property |
| Tfus | 300.62 | K | Relay (1.0) Calculated Property |
| Vc | 1.530 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [564.25; 1381.70] | 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 | -3.58370e+01 | |||
| Coefficient B | 2.58884e+00 | |||
| Coefficient C | -1.52880e-03 | |||
| Coefficient D | 3.57500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 564.25 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 704.52 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 829.80 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 941.20 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1039.87 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1126.93 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1203.51 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1270.75 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1329.77 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1381.70 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0015168; 0.0000585] | Pa×s | [388.97; 704.07] |
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 | -1.37642e+01 | |||
| Coefficient B | 2.82900e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 388.97 | |||
| Temperature range, max. | 704.07 | |||
| η | 0.0015168 | Pa×s | 388.97 | Calculated Property |
| η | 0.0008320 | Pa×s | 423.98 | Calculated Property |
| η | 0.0005001 | Pa×s | 458.99 | Calculated Property |
| η | 0.0003231 | Pa×s | 494.00 | Calculated Property |
| η | 0.0002212 | Pa×s | 529.02 | Calculated Property |
| η | 0.0001587 | Pa×s | 564.03 | Calculated Property |
| η | 0.0001184 | Pa×s | 599.04 | Calculated Property |
| η | 0.0000912 | Pa×s | 634.05 | Calculated Property |
| η | 0.0000722 | Pa×s | 669.06 | Calculated Property |
| η | 0.0000585 | Pa×s | 704.07 | Calculated Property |
Similar Compounds
Find more compounds similar to 7-heptacosene.
Sources
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