- InChI
- InChI=1S/C15H22O2/c1-4-5-6-7-8-9-10-11-12-17-15(16)13-14(2)3/h14H,4-5,10-13H2,1-3H3
- InChI Key
- NVMLEKVHEUTCIU-UHFFFAOYSA-N
- Formula
- C15H22O2
- SMILES
- CCCC#CC#CCCCOC(=O)CC(C)C
- Molecular Weight1
- 234.33
- CAS
- 29314-16-7
- 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 | 0.5176 | Relay (1.0) Calculated Property | |
| ΔfG° | 244.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -113.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.98 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.72 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.163 | Crippen Calculated Property | |
| McVol | 212.450 | ml/mol | McGowan Calculated Property |
| Pc | 1916.94 | kPa | Joback Calculated Property |
| Inp | [1773.00; 1817.40] |
|
|
| Inp | 1817.40 | NIST | |
| Inp | 1773.00 | NIST | |
| Inp | 1817.40 | NIST | |
| Inp | 1773.00 | NIST | |
| I | [2406.00; 2406.00] |
|
|
| I | 2406.00 | NIST | |
| I | 2406.00 | NIST | |
| Tboil | 499.93 | K | Relay (1.0) Calculated Property |
| Tc | 707.99 | K | Relay (1.0) Calculated Property |
| Tfus | 253.37 | K | Relay (1.0) Calculated Property |
| Vc | 0.765 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [540.67; 629.77] | J/mol×K | [636.45; 842.42] |
|
| Cp,gas | 540.67 | J/mol×K | 636.45 | Joback Calculated Property |
| Cp,gas | 557.59 | J/mol×K | 670.78 | Joback Calculated Property |
| Cp,gas | 573.66 | J/mol×K | 705.11 | Joback Calculated Property |
| Cp,gas | 588.89 | J/mol×K | 739.44 | Joback Calculated Property |
| Cp,gas | 603.32 | J/mol×K | 773.76 | Joback Calculated Property |
| Cp,gas | 616.94 | J/mol×K | 808.09 | Joback Calculated Property |
| Cp,gas | 629.77 | J/mol×K | 842.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Deca-4,6-diyn-1-yl 3-methylbutanoate.
Sources
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