- InChI
- InChI=1S/C25H46O2/c1-3-5-7-9-11-13-14-15-16-18-20-22-24-27-25(26)23-21-19-17-12-10-8-6-4-2/h2H,3,5-24H2,1H3
- InChI Key
- AGXFKXFGJDTHNJ-UHFFFAOYSA-N
- Formula
- C25H46O2
- SMILES
-
C#CCCCCCCCCC(=O)OCCCCCCCCCCCCC
C - Molecular Weight1
- 378.63
- 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° | 148.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -512.23 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 66.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.26 | kJ/mol | Joback Calculated Property |
| log10WS | -8.94 | Crippen Calculated Property | |
| logPoct/wat | 7.985 | Crippen Calculated Property | |
| McVol | 361.950 | ml/mol | McGowan Calculated Property |
| Pc | 852.97 | kPa | Joback Calculated Property |
| Inp | [2613.00; 2613.00] |
|
|
| Inp | 2613.00 | NIST | |
| Inp | 2613.00 | NIST | |
| Tboil | 837.81 | K | Joback Calculated Property |
| Tc | 1025.90 | K | Joback Calculated Property |
| Tfus | 490.64 | K | Joback Calculated Property |
| Vc | 1.421 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1162.34; 1271.87] | J/mol×K | [837.81; 1025.90] |
|
| Cp,gas | 1162.34 | J/mol×K | 837.81 | Joback Calculated Property |
| Cp,gas | 1183.27 | J/mol×K | 869.16 | Joback Calculated Property |
| Cp,gas | 1203.07 | J/mol×K | 900.51 | Joback Calculated Property |
| Cp,gas | 1221.78 | J/mol×K | 931.85 | Joback Calculated Property |
| Cp,gas | 1239.46 | J/mol×K | 963.20 | Joback Calculated Property |
| Cp,gas | 1256.14 | J/mol×K | 994.55 | Joback Calculated Property |
| Cp,gas | 1271.87 | J/mol×K | 1025.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Undec-10-ynoic acid, tetradecyl ester.
Sources
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