- 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
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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 | 0.8603 | Relay (1.0) Calculated Property | |
| ΔfG° | 213.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -367.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.84 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.67 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.59 | Relay (1.0) 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 | 607.85 | K | Relay (1.0) Calculated Property |
| Tc | 762.64 | K | Relay (1.0) Calculated Property |
| Tfus | [308.70; 308.70] | K |
|
| Tfus | 308.70 ± 1.50 | K | NIST |
| Tfus | 308.70 ± 2.00 | K | NIST |
| Vc | 1.202 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 92.80 | kJ/mol | 510.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [441.16; 1074.23] | 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 | -1.91920e+01 | |||
| Coefficient B | 1.97882e+00 | |||
| Coefficient C | -1.14150e-03 | |||
| Coefficient D | 2.56100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 441.16 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 549.34 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 646.17 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 732.46 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 809.02 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 876.66 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 936.20 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 988.43 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1034.17 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1074.23 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0045234; 0.0001482] | Pa×s | [308.70; 587.76] |
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 | -1.25985e+01 | |||
| Coefficient B | 2.22264e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 308.70 | |||
| Temperature range, max. | 587.76 | |||
| η | 0.0045234 | Pa×s | 308.70 | Calculated Property |
| η | 0.0023445 | Pa×s | 339.71 | Calculated Property |
| η | 0.0013564 | Pa×s | 370.71 | Calculated Property |
| η | 0.0008539 | Pa×s | 401.72 | Calculated Property |
| η | 0.0005744 | Pa×s | 432.73 | Calculated Property |
| η | 0.0004075 | Pa×s | 463.74 | Calculated Property |
| η | 0.0003017 | Pa×s | 494.74 | Calculated Property |
| η | 0.0002315 | Pa×s | 525.75 | Calculated Property |
| η | 0.0001829 | Pa×s | 556.76 | Calculated Property |
| η | 0.0001482 | Pa×s | 587.76 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Heneicosene.
Sources
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