- InChI
- InChI=1S/C20H36O2/c1-3-5-7-9-11-12-14-16-18-20(21)22-19-17-15-13-10-8-6-4-2/h1H,4-19H2,2H3
- InChI Key
- XLFKMHBUVLALDA-UHFFFAOYSA-N
- Formula
- C20H36O2
- SMILES
- C#CCCCCCCCCC(=O)OCCCCCCCCC
- Molecular Weight1
- 308.50
- 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° | 106.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -409.03 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 53.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.13 | kJ/mol | Joback Calculated Property |
| log10WS | -6.85 | Crippen Calculated Property | |
| logPoct/wat | 6.034 | Crippen Calculated Property | |
| McVol | 291.500 | ml/mol | McGowan Calculated Property |
| Pc | 1153.78 | kPa | Joback Calculated Property |
| Inp | [2108.00; 2108.00] |
|
|
| Inp | 2108.00 | NIST | |
| Inp | 2108.00 | NIST | |
| Tboil | 723.41 | K | Joback Calculated Property |
| Tc | 898.13 | K | Joback Calculated Property |
| Tfus | 434.29 | K | Joback Calculated Property |
| Vc | 1.141 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [856.43; 955.84] | J/mol×K | [723.41; 898.13] |
|
| Cp,gas | 856.43 | J/mol×K | 723.41 | Joback Calculated Property |
| Cp,gas | 875.11 | J/mol×K | 752.53 | Joback Calculated Property |
| Cp,gas | 892.92 | J/mol×K | 781.65 | Joback Calculated Property |
| Cp,gas | 909.87 | J/mol×K | 810.77 | Joback Calculated Property |
| Cp,gas | 925.99 | J/mol×K | 839.89 | Joback Calculated Property |
| Cp,gas | 941.30 | J/mol×K | 869.01 | Joback Calculated Property |
| Cp,gas | 955.84 | J/mol×K | 898.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Undec-10-ynoic acid, nonyl ester.
Sources
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