- InChI
- InChI=1S/C16H26O2/c1-4-5-6-7-8-9-10-11-12-16(17)18-14-13-15(2)3/h1,13H,5-12,14H2,2-3H3
- InChI Key
- PDJHJYUEGLJIHR-UHFFFAOYSA-N
- Formula
- C16H26O2
- SMILES
- C#CCCCCCCCCC(=O)OCC=C(C)C
- Molecular Weight1
- 250.38
- 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 | 0.6661 | Relay (1.0) Calculated Property | |
| ΔfG° | 144.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -355.42 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.12 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.81 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.96 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.250 | Crippen Calculated Property | |
| McVol | 230.840 | ml/mol | McGowan Calculated Property |
| Pc | 1596.17 | kPa | Joback Calculated Property |
| Inp | [1821.00; 1821.00] |
|
|
| Inp | 1821.00 | NIST | |
| Inp | 1821.00 | NIST | |
| Tboil | 572.52 | K | Relay (1.0) Calculated Property |
| Tc | 750.98 | K | Relay (1.0) Calculated Property |
| Tfus | 290.08 | K | Relay (1.0) Calculated Property |
| Vc | 0.827 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [609.07; 698.32] | J/mol×K | [635.93; 818.69] |
|
| Cp,gas | 609.07 | J/mol×K | 635.93 | Joback Calculated Property |
| Cp,gas | 625.85 | J/mol×K | 666.39 | Joback Calculated Property |
| Cp,gas | 641.83 | J/mol×K | 696.85 | Joback Calculated Property |
| Cp,gas | 657.03 | J/mol×K | 727.31 | Joback Calculated Property |
| Cp,gas | 671.49 | J/mol×K | 757.77 | Joback Calculated Property |
| Cp,gas | 685.25 | J/mol×K | 788.23 | Joback Calculated Property |
| Cp,gas | 698.32 | J/mol×K | 818.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Undec-10-ynoic acid, 3-methylbut-2-en-1-yl ester.
Sources
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