- InChI
- InChI=1S/C17H26O2/c1-4-7-8-9-10-11-12-13-15-17(18)19-16(6-3)14-5-2/h1,16H,6-13,15H2,2-3H3
- InChI Key
- YMISBVOGWGPTQT-UHFFFAOYSA-N
- Formula
- C17H26O2
- SMILES
- C#CCCCCCCCCC(=O)OC(C#CC)CC
- Molecular Weight1
- 262.39
- 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° | 281.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -80.09 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.21 | kJ/mol | Joback Calculated Property |
| log10WS | -5.50 | Crippen Calculated Property | |
| logPoct/wat | 4.086 | Crippen Calculated Property | |
| McVol | 240.630 | ml/mol | McGowan Calculated Property |
| Pc | 1615.47 | kPa | Joback Calculated Property |
| Inp | [1876.00; 1876.00] |
|
|
| Inp | 1876.00 | NIST | |
| Inp | 1876.00 | NIST | |
| Tboil | 663.33 | K | Joback Calculated Property |
| Tc | 855.83 | K | Joback Calculated Property |
| Tfus | 491.58 | K | Joback Calculated Property |
| Vc | 0.929 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [643.32; 734.84] | J/mol×K | [663.33; 855.83] |
|
| Cp,gas | 643.32 | J/mol×K | 663.33 | Joback Calculated Property |
| Cp,gas | 660.65 | J/mol×K | 695.41 | Joback Calculated Property |
| Cp,gas | 677.11 | J/mol×K | 727.50 | Joback Calculated Property |
| Cp,gas | 692.74 | J/mol×K | 759.58 | Joback Calculated Property |
| Cp,gas | 707.55 | J/mol×K | 791.67 | Joback Calculated Property |
| Cp,gas | 721.58 | J/mol×K | 823.75 | Joback Calculated Property |
| Cp,gas | 734.84 | J/mol×K | 855.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Undec-10-ynoic acid, hex-4-yn-3-yl ester.
Sources
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