- InChI
- InChI=1S/C21H42/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)3/h2,4-20H2,1,3H3
- InChI Key
- MNNWRIQCBSTKNP-UHFFFAOYSA-N
- Formula
- C21H42
- SMILES
- C=C(C)CCCCCCCCCCCCCCCCCC
- Molecular Weight1
- 294.56
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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 | 0.8563 | Relay (1.0) Calculated Property | |
| ΔfG° | 205.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -385.69 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.33 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.42 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.214 | Crippen Calculated Property | |
| McVol | 302.450 | ml/mol | McGowan Calculated Property |
| Pc | 984.55 | kPa | Joback Calculated Property |
| Inp | [2091.00; 2091.00] |
|
|
| Inp | 2091.00 | NIST | |
| Inp | 2091.00 | NIST | |
| Tboil | 598.92 | K | Relay (1.0) Calculated Property |
| Tc | 759.32 | K | Relay (1.0) Calculated Property |
| Tfus | 294.72 | K | Relay (1.0) Calculated Property |
| Vc | 1.200 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [441.31; 1073.96] | 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 | -1.88830e+01 | |||
| Coefficient B | 1.97874e+00 | |||
| Coefficient C | -1.14380e-03 | |||
| Coefficient D | 2.57900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 441.31 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 549.41 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 646.16 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 732.37 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 808.85 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 876.42 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 935.91 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 988.11 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1033.86 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1073.96 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-methyl-1-eicosene.
Sources
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