- InChI
- InChI=1S/C23H42O2/c1-3-5-7-9-11-13-14-16-18-20-22-25-23(24)21-19-17-15-12-10-8-6-4-2/h2H,3,5-22H2,1H3
- InChI Key
- CPUMHCZZUYHHHY-UHFFFAOYSA-N
- Formula
- C23H42O2
- SMILES
- C#CCCCCCCCCC(=O)OCCCCCCCCCCCC
- Molecular Weight1
- 350.58
- 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° | 131.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -470.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 61.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.81 | kJ/mol | Joback Calculated Property |
| log10WS | -8.11 | Crippen Calculated Property | |
| logPoct/wat | 7.205 | Crippen Calculated Property | |
| McVol | 333.770 | ml/mol | McGowan Calculated Property |
| Pc | 957.32 | kPa | Joback Calculated Property |
| Inp | [2409.00; 2409.00] |
|
|
| Inp | 2409.00 | NIST | |
| Inp | 2409.00 | NIST | |
| Tboil | 792.05 | K | Joback Calculated Property |
| Tc | 972.64 | K | Joback Calculated Property |
| Tfus | 468.10 | K | Joback Calculated Property |
| Vc | 1.310 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1037.43; 1142.63] | J/mol×K | [792.05; 972.64] |
|
| Cp,gas | 1037.43 | J/mol×K | 792.05 | Joback Calculated Property |
| Cp,gas | 1057.38 | J/mol×K | 822.15 | Joback Calculated Property |
| Cp,gas | 1076.31 | J/mol×K | 852.25 | Joback Calculated Property |
| Cp,gas | 1094.27 | J/mol×K | 882.35 | Joback Calculated Property |
| Cp,gas | 1111.28 | J/mol×K | 912.45 | Joback Calculated Property |
| Cp,gas | 1127.39 | J/mol×K | 942.55 | Joback Calculated Property |
| Cp,gas | 1142.63 | J/mol×K | 972.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Undec-10-ynoic acid, dodecyl ester.
Sources
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