- InChI
- InChI=1S/C11H8O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h9-10H,1-2H3/b10-9+
- InChI Key
- LBAVIXQTLKRIGP-MDZDMXLPSA-N
- Formula
- C11H8O2
- SMILES
- CC#CC#CC#CC=CC(=O)OC
- Molecular Weight1
- 172.18
- 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.
- 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° | 496.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 418.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.65 | kJ/mol | Joback Calculated Property |
| log10WS | -2.53 | Crippen Calculated Property | |
| logPoct/wat | 0.746 | Crippen Calculated Property | |
| McVol | 143.190 | ml/mol | McGowan Calculated Property |
| Pc | 3476.55 | kPa | Joback Calculated Property |
| Inp | [1622.00; 1622.00] |
|
|
| Inp | 1622.00 | NIST | |
| Inp | 1622.00 | NIST | |
| Tboil | 558.53 | K | Joback Calculated Property |
| Tc | 814.21 | K | Joback Calculated Property |
| Tfus | 599.11 | K | Joback Calculated Property |
| Vc | 0.541 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [287.58; 348.79] | J/mol×K | [558.53; 814.21] |
|
| Cp,gas | 287.58 | J/mol×K | 558.53 | Joback Calculated Property |
| Cp,gas | 299.35 | J/mol×K | 601.14 | Joback Calculated Property |
| Cp,gas | 310.47 | J/mol×K | 643.76 | Joback Calculated Property |
| Cp,gas | 320.96 | J/mol×K | 686.37 | Joback Calculated Property |
| Cp,gas | 330.83 | J/mol×K | 728.98 | Joback Calculated Property |
| Cp,gas | 340.10 | J/mol×K | 771.60 | Joback Calculated Property |
| Cp,gas | 348.79 | J/mol×K | 814.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dec-4,6,8-triyn-2-enoic acid, methyl ester.
Sources
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