- InChI
- InChI=1S/C13H16O4/c1-5-9-13(10-6-2,11(14)16-7-3)12(15)17-8-4/h1-2H,7-10H2,3-4H3
- InChI Key
- MYZCCWFBKBDURM-UHFFFAOYSA-N
- Formula
- C13H16O4
- SMILES
- C#CCC(CC#C)(C(=O)OCC)C(=O)OCC
- Molecular Weight1
- 236.26
- CAS
- 2689-88-5
- 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).
- 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° | 39.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -226.20 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.26 | kJ/mol | Joback Calculated Property |
| log10WS | -2.34 | Crippen Calculated Property | |
| logPoct/wat | 1.146 | Crippen Calculated Property | |
| McVol | 191.710 | ml/mol | McGowan Calculated Property |
| Pc | 2358.78 | kPa | Joback Calculated Property |
| Tboil | 626.43 | K | Joback Calculated Property |
| Tc | 832.14 | K | Joback Calculated Property |
| Tfus | 476.95 | K | Joback Calculated Property |
| Vc | 0.725 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [482.82; 552.20] | J/mol×K | [626.43; 832.14] | 
|
| Cp,gas | 482.82 | J/mol×K | 626.43 | Joback Calculated Property |
| Cp,gas | 496.29 | J/mol×K | 660.71 | Joback Calculated Property |
| Cp,gas | 508.95 | J/mol×K | 695.00 | Joback Calculated Property |
| Cp,gas | 520.84 | J/mol×K | 729.28 | Joback Calculated Property |
| Cp,gas | 532.00 | J/mol×K | 763.57 | Joback Calculated Property |
| Cp,gas | 542.44 | J/mol×K | 797.85 | Joback Calculated Property |
| Cp,gas | 552.20 | J/mol×K | 832.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethyl, dipropargyl malonate.
Sources
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