- InChI
- InChI=1S/C20H38/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-5,7,9-20H2,1-2H3
- InChI Key
- AQBXRWJMJJJCLI-UHFFFAOYSA-N
- Formula
- C20H38
- SMILES
- CCC#CCCCCCCCCCCCCCCCC
- Molecular Weight1
- 278.52
- CAS
- 61886-66-6
- 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).
- 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 | 0.7559 | Relay (1.0) Calculated Property | |
| ΔfG° | 320.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -195.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 50.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.95 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.33 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.05 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.271 | Crippen Calculated Property | |
| McVol | 284.060 | ml/mol | McGowan Calculated Property |
| Pc | 1127.59 | kPa | Joback Calculated Property |
| Inp | [1987.00; 1989.00] |
|
|
| Inp | 1987.00 | NIST | |
| Inp | 1989.00 | NIST | |
| Tboil | 567.25 | K | Relay (1.0) Calculated Property |
| Tc | 767.13 | K | Relay (1.0) Calculated Property |
| Tfus | 288.00 | K | Relay (1.0) Calculated Property |
| Vc | 1.116 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 68.40 | kJ/mol | 559.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [412.86; 990.03] | 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 | 2.26600e+00 | |||
| Coefficient B | 1.75404e+00 | |||
| Coefficient C | -9.72060e-04 | |||
| Coefficient D | 2.05780e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 412.86 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 510.26 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 597.82 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 676.20 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 746.04 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 808.00 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 862.73 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 910.87 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 953.09 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 990.03 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [462.52; 651.81] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.46986e+01 | |||
| Coefficient B | -5.09710e+03 | |||
| Coefficient C | -1.08826e+02 | |||
| Temperature range, min. | 462.52 | |||
| Temperature range, max. | 651.81 | |||
| Pvap | 1.33 | kPa | 462.52 | Calculated Property |
| Pvap | 2.99 | kPa | 483.55 | Calculated Property |
| Pvap | 6.17 | kPa | 504.58 | Calculated Property |
| Pvap | 11.81 | kPa | 525.62 | Calculated Property |
| Pvap | 21.26 | kPa | 546.65 | Calculated Property |
| Pvap | 36.25 | kPa | 567.68 | Calculated Property |
| Pvap | 58.98 | kPa | 588.71 | Calculated Property |
| Pvap | 92.13 | kPa | 609.75 | Calculated Property |
| Pvap | 138.82 | kPa | 630.78 | Calculated Property |
| Pvap | 202.64 | kPa | 651.81 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Eicosyne.
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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