- InChI
- InChI=1S/C15H22O2/c1-4-6-7-8-9-10-11-12-13-15(16)17-14(3)5-2/h1-2,14H,6-13H2,3H3
- InChI Key
- WZSNKPVAHBCPQT-UHFFFAOYSA-N
- Formula
- C15H22O2
- SMILES
- C#CCCCCCCCCC(=O)OC(C)C#C
- Molecular Weight1
- 234.33
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 285.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -19.21 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.47 | kJ/mol | Joback Calculated Property |
| log10WS | -4.67 | Crippen Calculated Property | |
| logPoct/wat | 3.305 | Crippen Calculated Property | |
| McVol | 212.450 | ml/mol | McGowan Calculated Property |
| Pc | 1877.28 | kPa | Joback Calculated Property |
| Inp | [1642.00; 1642.00] |
|
|
| Inp | 1642.00 | NIST | |
| Inp | 1642.00 | NIST | |
| Tboil | 598.69 | K | Joback Calculated Property |
| Tc | 786.89 | K | Joback Calculated Property |
| Tfus | 409.91 | K | Joback Calculated Property |
| Vc | 0.818 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [534.20; 618.34] | J/mol×K | [598.69; 786.89] |
|
| Cp,gas | 534.20 | J/mol×K | 598.69 | Joback Calculated Property |
| Cp,gas | 550.08 | J/mol×K | 630.06 | Joback Calculated Property |
| Cp,gas | 565.17 | J/mol×K | 661.42 | Joback Calculated Property |
| Cp,gas | 579.52 | J/mol×K | 692.79 | Joback Calculated Property |
| Cp,gas | 593.15 | J/mol×K | 724.16 | Joback Calculated Property |
| Cp,gas | 606.08 | J/mol×K | 755.53 | Joback Calculated Property |
| Cp,gas | 618.34 | J/mol×K | 786.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Undec-10-ynoic acid, but-3-yn-2-yl ester.
Sources
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