- InChI
- InChI=1S/C21H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h3-6,9,12,15,18-20H2,1-2H3
- InChI Key
- CTHYLKQCJHFQOG-UHFFFAOYSA-N
- Formula
- C21H26O2
- SMILES
- CCCCCC#CCC#CCC#CCC#CCCCC(=O)OC
- Molecular Weight1
- 310.43
- 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).
- 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 | 0.5640 | Relay (1.0) Calculated Property | |
| ΔfG° | 703.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 190.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 65.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.78 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.10 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.094 | Crippen Calculated Property | |
| McVol | 279.790 | ml/mol | McGowan Calculated Property |
| Pc | 1540.29 | kPa | Joback Calculated Property |
| Inp | [2540.00; 2540.00] |
|
|
| Inp | 2540.00 | NIST | |
| Inp | 2540.00 | NIST | |
| Tboil | 571.94 | K | Relay (1.0) Calculated Property |
| Tc | 799.25 | K | Relay (1.0) Calculated Property |
| Tfus | 317.40 | K | Relay (1.0) Calculated Property |
| Vc | 0.937 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [779.24; 871.43] | J/mol×K | [792.17; 1016.94] |
|
| Cp,gas | 779.24 | J/mol×K | 792.17 | Joback Calculated Property |
| Cp,gas | 797.28 | J/mol×K | 829.63 | Joback Calculated Property |
| Cp,gas | 814.21 | J/mol×K | 867.09 | Joback Calculated Property |
| Cp,gas | 830.06 | J/mol×K | 904.55 | Joback Calculated Property |
| Cp,gas | 844.86 | J/mol×K | 942.02 | Joback Calculated Property |
| Cp,gas | 858.64 | J/mol×K | 979.48 | Joback Calculated Property |
| Cp,gas | 871.43 | J/mol×K | 1016.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5,8,11,14-Eicosatetraynoic acid, methyl ester.
Sources
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