- InChI
- InChI=1S/C20H38/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h1H,4-20H2,2H3
- InChI Key
- BUSHLWVWPAEVMX-UHFFFAOYSA-N
- Formula
- C20H38
- SMILES
- C#CCCCCCCCCCCCCCCCCCC
- Molecular Weight1
- 278.52
- CAS
- 765-27-5
- 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).
- 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).
- 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).
- Zc : Critical Compressibility.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.7500 | KDB | |
| ΔfG° | 340.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -197.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 50.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.91 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.99 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.30 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.271 | Crippen Calculated Property | |
| McVol | 284.060 | ml/mol | McGowan Calculated Property |
| Pc | 1120.00 | kPa | KDB |
| Tboil | [587.65; 613.20] | K |
|
| Tboil | 613.20 | K | KDB |
| Tboil | 587.65 ± 3.00 | K | NIST |
| Tc | 769.80 | K | KDB |
| Tfus | [309.00; 309.15] | K |
|
| Tfus | 309.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 309.00 | K | KDB |
| Vc | 1.117 | m3/kmol | KDB |
| Zc | 0.1955470 | KDB |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 68.90 | kJ/mol | 562.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [418.57; 993.47] | 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 | -1.51300e+00 | |||
| Coefficient B | 1.80992e+00 | |||
| Coefficient C | -1.06013e-03 | |||
| Coefficient D | 2.45190e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 418.57 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 516.97 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 604.92 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 683.22 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 752.62 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 813.92 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 867.87 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 915.26 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 956.87 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 993.47 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [470.53; 648.97] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.54166e+01 | |||
| Coefficient B | -5.43009e+03 | |||
| Coefficient C | -1.11608e+02 | |||
| Temperature range, min. | 470.53 | |||
| Temperature range, max. | 648.97 | |||
| Pvap | 1.33 | kPa | 470.53 | Calculated Property |
| Pvap | 2.94 | kPa | 490.36 | Calculated Property |
| Pvap | 6.01 | kPa | 510.18 | Calculated Property |
| Pvap | 11.45 | kPa | 530.01 | Calculated Property |
| Pvap | 20.61 | kPa | 549.84 | Calculated Property |
| Pvap | 35.23 | kPa | 569.66 | Calculated Property |
| Pvap | 57.61 | kPa | 589.49 | Calculated Property |
| Pvap | 90.60 | kPa | 609.32 | Calculated Property |
| Pvap | 137.60 | kPa | 629.14 | Calculated Property |
| Pvap | 202.65 | kPa | 648.97 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Eicosyne.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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