- 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 (... Calculated Property | |
| ΔfG° | 205.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -385.69 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 47.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.17 | kJ/mol | Relay (... Calculated Property |
| IE | 9.42 | eV | Relay (... Calculated Property |
| log10WS | -8.57 | Relay (... 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 | NIST | |
| Tboil | 598.92 | K | Relay (... Calculated Property |
| Tc | 756.51 | K | Relay (... Calculated Property |
| Tfus | 299.61 | K | Relay (... Calculated Property |
| Vc | 1.199 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [876.07; 989.42] | J/mol×K | [676.44; 840.60] | 
|
| Cp,gas | 876.07 | J/mol×K | 676.44 | Joback Calculated Property |
| Cp,gas | 897.10 | J/mol×K | 703.80 | Joback Calculated Property |
| Cp,gas | 917.23 | J/mol×K | 731.16 | Joback Calculated Property |
| Cp,gas | 936.50 | J/mol×K | 758.52 | Joback Calculated Property |
| Cp,gas | 954.93 | J/mol×K | 785.88 | Joback Calculated Property |
| Cp,gas | 972.56 | J/mol×K | 813.24 | Joback Calculated Property |
| Cp,gas | 989.42 | J/mol×K | 840.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-methyl-1-eicosene.
Sources
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