- InChI
- InChI=1S/C21H32O2/c1-6-7-8-9-10-11-12-13-14-21(22)23-20(17-19(4)5)16-15-18(2)3/h1,19-20H,2,7-14,17H2,3-5H3
- InChI Key
- FLSHKOLQAWMBKK-UHFFFAOYSA-N
- Formula
- C21H32O2
- SMILES
-
C#CCCCCCCCCC(=O)OC(C#CC(=C)C)C
C(C)C - Molecular Weight1
- 316.48
- 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 | 0.7168 | Relay (... Calculated Property | |
| ΔfG° | 392.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -233.58 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 49.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.54 | kJ/mol | Relay (... Calculated Property |
| IE | 9.05 | eV | Relay (... Calculated Property |
| log10WS | -5.79 | Relay (... Calculated Property | |
| logPoct/wat | 5.278 | Crippen Calculated Property | |
| McVol | 292.690 | ml/mol | McGowan Calculated Property |
| Pc | 1260.16 | kPa | Joback Calculated Property |
| Inp | [2090.00; 2090.00] |
|
|
| Inp | 2090.00 | NIST | |
| Inp | 2090.00 | NIST | |
| Tboil | 588.10 | K | Relay (... Calculated Property |
| Tc | 781.99 | K | Relay (... Calculated Property |
| Tfus | 296.62 | K | Relay (... Calculated Property |
| Vc | 1.028 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [844.69; 942.14] | J/mol×K | [750.97; 945.73] |
|
| Cp,gas | 844.69 | J/mol×K | 750.97 | Joback Calculated Property |
| Cp,gas | 863.31 | J/mol×K | 783.43 | Joback Calculated Property |
| Cp,gas | 880.93 | J/mol×K | 815.89 | Joback Calculated Property |
| Cp,gas | 897.59 | J/mol×K | 848.35 | Joback Calculated Property |
| Cp,gas | 913.31 | J/mol×K | 880.81 | Joback Calculated Property |
| Cp,gas | 928.15 | J/mol×K | 913.27 | Joback Calculated Property |
| Cp,gas | 942.14 | J/mol×K | 945.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Undec-10-ynoic acid, 2,7-dimethyloct-1-en-3-yn-5-yl ester.
Sources
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