- InChI
- InChI=1S/2C6H10O3.Ca/c2*1-3-9-6(8)4-5(2)7;/h2*4,7H,3H2,1-2H3;/q;;+2/p-2/b2*5-4-;
- InChI Key
- WKYLIJPMLYKABW-SJGYQHGCSA-L
- Formula
- C12H18CaO6
- SMILES
-
CCOC(=O)C=C(C)[O-].CCOC(=O)C=C
(C)[O-].[Ca+2] - Molecular Weight1
- 298.35
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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.
- 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 |
|---|---|---|---|
| ω | 0.4794 | Relay (1.0) Calculated Property | |
| ΔfG° | -415.81 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1641.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 83.51 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.36 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.98 | Relay (1.0) Calculated Property | |
| Pc | 1611.38 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 786.62 | K | Relay (1.0) Calculated Property |
| Tc | 962.49 | K | Relay (1.0) Calculated Property |
| Tfus | 391.55 | K | Relay (1.0) Calculated Property |
| Vc | 0.622 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Calcio acetoacetic ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- NIST Webbook
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