- InChI
- InChI=1S/C15H20O2/c1-4-5-6-7-8-9-10-11-12-17-15(16)13-14(2)3/h4-5,14H,10-13H2,1-3H3/b5-4-
- InChI Key
- KWRUHFXUFNAAJG-PLNGDYQASA-N
- Formula
- C15H20O2
- SMILES
- CC=CC#CC#CCCCOC(=O)CC(C)C
- Molecular Weight1
- 232.32
- CAS
- 126693-81-0
- 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.
- I : 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 | 0.4700 | Relay (1.0) Calculated Property | |
| ΔfG° | 324.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -28.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.44 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.53 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.71 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.939 | Crippen Calculated Property | |
| McVol | 208.150 | ml/mol | McGowan Calculated Property |
| Pc | 2007.30 | kPa | Joback Calculated Property |
| Inp | [1787.00; 1832.20] |
|
|
| Inp | 1832.20 | NIST | |
| Inp | 1787.00 | NIST | |
| Inp | 1787.00 | NIST | |
| Inp | 1832.20 | NIST | |
| I | [2480.00; 2480.00] |
|
|
| I | 2480.00 | NIST | |
| I | 2480.00 | NIST | |
| Tboil | 499.69 | K | Relay (1.0) Calculated Property |
| Tc | 710.07 | K | Relay (1.0) Calculated Property |
| Tfus | 271.59 | K | Relay (1.0) Calculated Property |
| Vc | 0.719 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [519.47; 605.50] | J/mol×K | [640.61; 854.81] |
|
| Cp,gas | 519.47 | J/mol×K | 640.61 | Joback Calculated Property |
| Cp,gas | 535.91 | J/mol×K | 676.31 | Joback Calculated Property |
| Cp,gas | 551.47 | J/mol×K | 712.01 | Joback Calculated Property |
| Cp,gas | 566.18 | J/mol×K | 747.71 | Joback Calculated Property |
| Cp,gas | 580.07 | J/mol×K | 783.41 | Joback Calculated Property |
| Cp,gas | 593.17 | J/mol×K | 819.11 | Joback Calculated Property |
| Cp,gas | 605.50 | J/mol×K | 854.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (Z)-8-decen-4,6-diyn-1-yl 3-methylbutanoate.
Sources
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