- InChI
- InChI=1S/C20H39N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h2-19H2,1H3
- InChI Key
- BYCIKRXQXRFYED-UHFFFAOYSA-N
- Formula
- C20H39N
- SMILES
- CCCCCCCCCCCCCCCCCCCC#N
- Molecular Weight1
- 293.53
- CAS
- 4616-73-3
- Other Names
-
- Eicosanonitrile
- 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).
- Pvap : Vapor pressure (kPa).
- 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 | 0.9625 | Relay (1.0) Calculated Property | |
| ΔfG° | 250.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -311.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 111.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.67 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.19 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.552 | Crippen Calculated Property | |
| McVol | 294.040 | ml/mol | McGowan Calculated Property |
| Pc | 999.54 | kPa | Joback Calculated Property |
| Tboil | 612.92 | K | Relay (1.0) Calculated Property |
| Tc | 821.26 | K | Relay (1.0) Calculated Property |
| Tfus | 323.15 ± 2.00 | K | NIST |
| Vc | 1.169 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [898.48; 998.49] | J/mol×K | [759.08; 936.41] | 
|
| Cp,gas | 898.48 | J/mol×K | 759.08 | Joback Calculated Property |
| Cp,gas | 917.27 | J/mol×K | 788.63 | Joback Calculated Property |
| Cp,gas | 935.16 | J/mol×K | 818.19 | Joback Calculated Property |
| Cp,gas | 952.20 | J/mol×K | 847.74 | Joback Calculated Property |
| Cp,gas | 968.41 | J/mol×K | 877.30 | Joback Calculated Property |
| Cp,gas | 983.83 | J/mol×K | 906.85 | Joback Calculated Property |
| Cp,gas | 998.49 | J/mol×K | 936.41 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [500.82; 717.04] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.40579e+01 | |||
| Coefficient B | -5.18352e+03 | |||
| Coefficient C | -1.24394e+02 | |||
| Temperature range, min. | 500.82 | |||
| Temperature range, max. | 717.04 | |||
| Pvap | 1.33 | kPa | 500.82 | Calculated Property |
| Pvap | 3.05 | kPa | 524.84 | Calculated Property |
| Pvap | 6.34 | kPa | 548.87 | Calculated Property |
| Pvap | 12.19 | kPa | 572.89 | Calculated Property |
| Pvap | 21.93 | kPa | 596.92 | Calculated Property |
| Pvap | 37.29 | kPa | 620.94 | Calculated Property |
| Pvap | 60.38 | kPa | 644.97 | Calculated Property |
| Pvap | 93.68 | kPa | 668.99 | Calculated Property |
| Pvap | 140.05 | kPa | 693.02 | Calculated Property |
| Pvap | 202.66 | kPa | 717.04 | Calculated Property |
Similar Compounds
Find more compounds similar to Eicosanenitrile.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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