- InChI
- InChI=1S/C21H42/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3H,1,4-21H2,2H3
- InChI Key
- JTOGFHAZQVDOAO-UHFFFAOYSA-N
- Formula
- C21H42
- SMILES
- C=CCCCCCCCCCCCCCCCCCCC
- Molecular Weight1
- 294.56
- CAS
- 1599-68-4
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- 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 |
|---|---|---|---|
| ΔfG° | 213.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -351.34 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.67 | kJ/mol | Joback Calculated Property |
| log10WS | -8.47 | Crippen Calculated Property | |
| logPoct/wat | 8.214 | Crippen Calculated Property | |
| McVol | 302.450 | ml/mol | McGowan Calculated Property |
| Pc | 981.46 | kPa | Joback Calculated Property |
| Inp | 2089.10 | NIST | |
| Tboil | 676.56 | K | Joback Calculated Property |
| Tc | 839.41 | K | Joback Calculated Property |
| Tfus | [308.70; 308.70] | K |
|
| Tfus | 308.70 ± 1.50 | K | NIST |
| Tfus | 308.70 ± 2.00 | K | NIST |
| Vc | 1.192 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [876.41; 989.01] | J/mol×K | [676.56; 839.41] |
|
| Cp,gas | 876.41 | J/mol×K | 676.56 | Joback Calculated Property |
| Cp,gas | 897.28 | J/mol×K | 703.70 | Joback Calculated Property |
| Cp,gas | 917.28 | J/mol×K | 730.84 | Joback Calculated Property |
| Cp,gas | 936.42 | J/mol×K | 757.99 | Joback Calculated Property |
| Cp,gas | 954.73 | J/mol×K | 785.13 | Joback Calculated Property |
| Cp,gas | 972.25 | J/mol×K | 812.27 | Joback Calculated Property |
| Cp,gas | 989.01 | J/mol×K | 839.41 | Joback Calculated Property |
| η | [0.0000902; 0.0031744] | Pa×s | [324.67; 676.56] |
|
| η | 0.0031744 | Pa×s | 324.67 | Joback Calculated Property |
| η | 0.0011137 | Pa×s | 383.32 | Joback Calculated Property |
| η | 0.0005159 | Pa×s | 441.97 | Joback Calculated Property |
| η | 0.0002862 | Pa×s | 500.61 | Joback Calculated Property |
| η | 0.0001797 | Pa×s | 559.26 | Joback Calculated Property |
| η | 0.0001232 | Pa×s | 617.91 | Joback Calculated Property |
| η | 0.0000902 | Pa×s | 676.56 | Joback Calculated Property |
| ΔvapH | 92.80 | kJ/mol | 510.00 | NIST |
Similar Compounds
Find more compounds similar to 1-Heneicosene.
Sources
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