- InChI
- InChI=1S/C9H10O3/c1-3-5-7-11-9(10)12-8-6-4-2/h7-8H2,1-2H3
- InChI Key
- HMKKBNWNSPLQFH-UHFFFAOYSA-N
- Formula
- C9H10O3
- SMILES
- CC#CCOC(=O)OCC#CC
- Molecular Weight1
- 166.17
- 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° | 91.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -61.51 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.50 | kJ/mol | Joback Calculated Property |
| log10WS | -2.11 | Crippen Calculated Property | |
| logPoct/wat | 1.186 | Crippen Calculated Property | |
| McVol | 133.780 | ml/mol | McGowan Calculated Property |
| Pc | 3329.68 | kPa | Joback Calculated Property |
| Inp | [1346.00; 1346.00] |
|
|
| Inp | 1346.00 | NIST | |
| Inp | 1346.00 | NIST | |
| Tboil | 522.03 | K | Joback Calculated Property |
| Tc | 742.25 | K | Joback Calculated Property |
| Tfus | 497.78 | K | Joback Calculated Property |
| Vc | 0.505 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [279.18; 339.70] | J/mol×K | [522.03; 742.25] |
|
| Cp,gas | 279.18 | J/mol×K | 522.03 | Joback Calculated Property |
| Cp,gas | 290.34 | J/mol×K | 558.73 | Joback Calculated Property |
| Cp,gas | 301.09 | J/mol×K | 595.44 | Joback Calculated Property |
| Cp,gas | 311.42 | J/mol×K | 632.14 | Joback Calculated Property |
| Cp,gas | 321.31 | J/mol×K | 668.85 | Joback Calculated Property |
| Cp,gas | 330.74 | J/mol×K | 705.55 | Joback Calculated Property |
| Cp,gas | 339.70 | J/mol×K | 742.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, di(but-2-yn-1-yl) ester.
Sources
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