- InChI
- InChI=1S/C15H26O2/c1-4-5-6-7-8-9-10-11-12-15(16)17-13-14(2)3/h1,14H,5-13H2,2-3H3
- InChI Key
- KDUWBXGOYJXAPO-UHFFFAOYSA-N
- Formula
- C15H26O2
- SMILES
- C#CCCCCCCCCC(=O)OCC(C)C
- Molecular Weight1
- 238.37
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.6872 | Relay (1.0) Calculated Property | |
| ΔfG° | 62.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -423.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.53 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.940 | Crippen Calculated Property | |
| McVol | 221.050 | ml/mol | McGowan Calculated Property |
| Pc | 1657.84 | kPa | Joback Calculated Property |
| Inp | 1676.00 | NIST | |
| Tboil | 557.30 | K | Relay (1.0) Calculated Property |
| Tc | 727.92 | K | Relay (1.0) Calculated Property |
| Tfus | 285.86 | K | Relay (1.0) Calculated Property |
| Vc | 0.811 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [577.01; 666.97] | J/mol×K | [608.57; 786.86] | 
|
| Cp,gas | 577.01 | J/mol×K | 608.57 | Joback Calculated Property |
| Cp,gas | 593.84 | J/mol×K | 638.28 | Joback Calculated Property |
| Cp,gas | 609.90 | J/mol×K | 668.00 | Joback Calculated Property |
| Cp,gas | 625.23 | J/mol×K | 697.71 | Joback Calculated Property |
| Cp,gas | 639.84 | J/mol×K | 727.43 | Joback Calculated Property |
| Cp,gas | 653.75 | J/mol×K | 757.14 | Joback Calculated Property |
| Cp,gas | 666.97 | J/mol×K | 786.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Undec-10-ynoic acid, isobutyl ester.
Sources
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