- InChI
- InChI=1S/C29H54O2/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28-31-29(30)27-25-23-21-12-10-8-6-4-2/h2H,3,5-28H2,1H3
- InChI Key
- GIXXCJBLAKJFIX-UHFFFAOYSA-N
- Formula
- C29H54O2
- SMILES
-
C#CCCCCCCCCC(=O)OCCCCCCCCCCCCC
CCCCC - Molecular Weight1
- 434.74
- 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° | 182.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -594.79 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 76.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.16 | kJ/mol | Joback Calculated Property |
| log10WS | -10.62 | Crippen Calculated Property | |
| logPoct/wat | 9.545 | Crippen Calculated Property | |
| McVol | 418.310 | ml/mol | McGowan Calculated Property |
| Pc | 689.61 | kPa | Joback Calculated Property |
| Inp | [3007.00; 3007.00] |
|
|
| Inp | 3007.00 | NIST | |
| Inp | 3007.00 | NIST | |
| Tboil | 929.33 | K | Joback Calculated Property |
| Tc | 1143.42 | K | Joback Calculated Property |
| Tfus | 535.72 | K | Joback Calculated Property |
| Vc | 1.645 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1420.10; 1540.66] | J/mol×K | [929.33; 1143.42] |
|
| Cp,gas | 1420.10 | J/mol×K | 929.33 | Joback Calculated Property |
| Cp,gas | 1443.66 | J/mol×K | 965.01 | Joback Calculated Property |
| Cp,gas | 1465.72 | J/mol×K | 1000.69 | Joback Calculated Property |
| Cp,gas | 1486.37 | J/mol×K | 1036.38 | Joback Calculated Property |
| Cp,gas | 1505.70 | J/mol×K | 1072.06 | Joback Calculated Property |
| Cp,gas | 1523.76 | J/mol×K | 1107.74 | Joback Calculated Property |
| Cp,gas | 1540.66 | J/mol×K | 1143.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Undec-10-ynoic acid, octadecyl ester.
Sources
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