- InChI
- InChI=1S/C22H40O2/c1-3-5-7-9-11-13-15-17-19-21-24-22(23)20-18-16-14-12-10-8-6-4-2/h2H,3,5-21H2,1H3
- InChI Key
- WJDYXMOOBBAZOX-UHFFFAOYSA-N
- Formula
- C22H40O2
- SMILES
- C#CCCCCCCCCC(=O)OCCCCCCCCCCC
- Molecular Weight1
- 336.55
- 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° | 123.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -450.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 58.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.58 | kJ/mol | Joback Calculated Property |
| log10WS | -7.69 | Crippen Calculated Property | |
| logPoct/wat | 6.814 | Crippen Calculated Property | |
| McVol | 319.680 | ml/mol | McGowan Calculated Property |
| Pc | 1016.83 | kPa | Joback Calculated Property |
| Inp | 2308.00 | NIST | |
| Tboil | 769.17 | K | Joback Calculated Property |
| Tc | 947.15 | K | Joback Calculated Property |
| Tfus | 456.83 | K | Joback Calculated Property |
| Vc | 1.254 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [976.18; 1079.40] | J/mol×K | [769.17; 947.15] | 
|
| Cp,gas | 976.18 | J/mol×K | 769.17 | Joback Calculated Property |
| Cp,gas | 995.69 | J/mol×K | 798.83 | Joback Calculated Property |
| Cp,gas | 1014.23 | J/mol×K | 828.50 | Joback Calculated Property |
| Cp,gas | 1031.84 | J/mol×K | 858.16 | Joback Calculated Property |
| Cp,gas | 1048.55 | J/mol×K | 887.83 | Joback Calculated Property |
| Cp,gas | 1064.39 | J/mol×K | 917.49 | Joback Calculated Property |
| Cp,gas | 1079.40 | J/mol×K | 947.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Undec-10-ynoic acid, undecyl ester.
Sources
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