- InChI
- InChI=1S/C27H50O2/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26-29-27(28)25-23-21-19-12-10-8-6-4-2/h2H,3,5-26H2,1H3
- InChI Key
- AHAMRTRAKUNZMP-UHFFFAOYSA-N
- Formula
- C27H50O2
- SMILES
-
C#CCCCCCCCCC(=O)OCCCCCCCCCCCCC
CCC - Molecular Weight1
- 406.68
- 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° | 165.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -553.51 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 71.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.71 | kJ/mol | Joback Calculated Property |
| log10WS | -9.78 | Crippen Calculated Property | |
| logPoct/wat | 8.765 | Crippen Calculated Property | |
| McVol | 390.130 | ml/mol | McGowan Calculated Property |
| Pc | 764.79 | kPa | Joback Calculated Property |
| Inp | [2807.00; 2807.00] |
|
|
| Inp | 2807.00 | NIST | |
| Inp | 2807.00 | NIST | |
| Tboil | 883.57 | K | Joback Calculated Property |
| Tc | 1082.62 | K | Joback Calculated Property |
| Tfus | 513.18 | K | Joback Calculated Property |
| Vc | 1.534 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1290.05; 1404.61] | J/mol×K | [883.57; 1082.62] |
|
| Cp,gas | 1290.05 | J/mol×K | 883.57 | Joback Calculated Property |
| Cp,gas | 1312.16 | J/mol×K | 916.74 | Joback Calculated Property |
| Cp,gas | 1332.99 | J/mol×K | 949.92 | Joback Calculated Property |
| Cp,gas | 1352.59 | J/mol×K | 983.09 | Joback Calculated Property |
| Cp,gas | 1371.02 | J/mol×K | 1016.27 | Joback Calculated Property |
| Cp,gas | 1388.34 | J/mol×K | 1049.44 | Joback Calculated Property |
| Cp,gas | 1404.61 | J/mol×K | 1082.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Undec-10-ynoic acid, hexadecyl ester.
Sources
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