- InChI
- InChI=1S/C12H14O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h3-4H,9-11H2,1-2H3/b4-3-
- InChI Key
- POFUIXIUNQEQNM-ARJAWSKDSA-N
- Formula
- C12H14O2
- SMILES
- CC=CC#CC#CCCCOC(C)=O
- Molecular Weight1
- 190.24
- CAS
- 6131-31-3
- 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 | 0.3718 | Relay (1.0) Calculated Property | |
| ΔfG° | 302.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 46.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.45 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.48 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.913 | Crippen Calculated Property | |
| McVol | 165.880 | ml/mol | McGowan Calculated Property |
| Pc | 2624.46 | kPa | Joback Calculated Property |
| Inp | 1598.20 | NIST | |
| Tboil | 503.27 | K | Relay (1.0) Calculated Property |
| Tc | 679.94 | K | Relay (1.0) Calculated Property |
| Tfus | 292.28 | K | Relay (1.0) Calculated Property |
| Vc | 0.574 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [371.31; 444.61] | J/mol×K | [572.41; 793.55] | 
|
| Cp,gas | 371.31 | J/mol×K | 572.41 | Joback Calculated Property |
| Cp,gas | 385.25 | J/mol×K | 609.27 | Joback Calculated Property |
| Cp,gas | 398.48 | J/mol×K | 646.12 | Joback Calculated Property |
| Cp,gas | 411.01 | J/mol×K | 682.98 | Joback Calculated Property |
| Cp,gas | 422.86 | J/mol×K | 719.84 | Joback Calculated Property |
| Cp,gas | 434.05 | J/mol×K | 756.70 | Joback Calculated Property |
| Cp,gas | 444.61 | J/mol×K | 793.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (Z)-Deca-8-en-4,6-diyn-1-yl acetate.
Sources
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