- InChI
- InChI=1S/C19H34O2/c1-3-5-7-9-11-12-13-15-17-19(20)21-18-16-14-10-8-6-4-2/h1H,4-18H2,2H3
- InChI Key
- NFJBMLOIHOFIOS-UHFFFAOYSA-N
- Formula
- C19H34O2
- SMILES
- C#CCCCCCCCCC(=O)OCCCCCCCC
- Molecular Weight1
- 294.47
- 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° | 98.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -388.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 50.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.90 | kJ/mol | Joback Calculated Property |
| log10WS | -6.43 | Crippen Calculated Property | |
| logPoct/wat | 5.644 | Crippen Calculated Property | |
| McVol | 277.410 | ml/mol | McGowan Calculated Property |
| Pc | 1232.88 | kPa | Joback Calculated Property |
| Inp | [2011.00; 2011.00] |
|
|
| Inp | 2011.00 | NIST | |
| Inp | 2011.00 | NIST | |
| Tboil | 700.53 | K | Joback Calculated Property |
| Tc | 874.48 | K | Joback Calculated Property |
| Tfus | 423.02 | K | Joback Calculated Property |
| Vc | 1.085 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [798.07; 895.57] | J/mol×K | [700.53; 874.48] |
|
| Cp,gas | 798.07 | J/mol×K | 700.53 | Joback Calculated Property |
| Cp,gas | 816.36 | J/mol×K | 729.52 | Joback Calculated Property |
| Cp,gas | 833.80 | J/mol×K | 758.51 | Joback Calculated Property |
| Cp,gas | 850.42 | J/mol×K | 787.51 | Joback Calculated Property |
| Cp,gas | 866.23 | J/mol×K | 816.50 | Joback Calculated Property |
| Cp,gas | 881.28 | J/mol×K | 845.49 | Joback Calculated Property |
| Cp,gas | 895.57 | J/mol×K | 874.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Undec-10-ynoic acid, octyl ester.
Sources
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