- InChI
- InChI=1S/C15H18O2/c1-4-5-6-7-8-9-10-11-12-17-15(16)13-14(2)3/h4-5,10-11,14H,12-13H2,1-3H3/b5-4-,11-10+
- InChI Key
- FPIBENZMUTVCEK-JWPKELMXSA-N
- Formula
- C15H18O2
- SMILES
- CC=CC#CC#CC=CCOC(=O)CC(C)C
- Molecular Weight1
- 230.30
- CAS
- 126665-85-8
- 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.
- 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 |
|---|---|---|---|
| ΔfG° | 405.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 176.03 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.97 | kJ/mol | Joback Calculated Property |
| log10WS | -4.02 | Crippen Calculated Property | |
| logPoct/wat | 2.715 | Crippen Calculated Property | |
| McVol | 203.850 | ml/mol | McGowan Calculated Property |
| Pc | 2104.20 | kPa | Joback Calculated Property |
| Inp | [1851.00; 1888.80] |
|
|
| Inp | 1888.80 | NIST | |
| Inp | 1851.00 | NIST | |
| Inp | 1888.80 | NIST | |
| Inp | 1851.00 | NIST | |
| I | 2596.00 | NIST | |
| Tboil | 644.77 | K | Joback Calculated Property |
| Tc | 867.75 | K | Joback Calculated Property |
| Tfus | 518.01 | K | Joback Calculated Property |
| Vc | 0.777 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [498.01; 580.83] | J/mol×K | [644.77; 867.75] |
|
| Cp,gas | 498.01 | J/mol×K | 644.77 | Joback Calculated Property |
| Cp,gas | 513.94 | J/mol×K | 681.93 | Joback Calculated Property |
| Cp,gas | 528.95 | J/mol×K | 719.10 | Joback Calculated Property |
| Cp,gas | 543.10 | J/mol×K | 756.26 | Joback Calculated Property |
| Cp,gas | 556.43 | J/mol×K | 793.42 | Joback Calculated Property |
| Cp,gas | 568.99 | J/mol×K | 830.58 | Joback Calculated Property |
| Cp,gas | 580.83 | J/mol×K | 867.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (E,Z)-2,8-Decadien-4,6-diyn-1-yl 3-methylbutanoate.
Sources
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