- InChI
- InChI=1S/C9H16O4/c1-3-11-8(10)7-9(2)12-5-4-6-13-9/h3-7H2,1-2H3
- InChI Key
- XMLLBDKQPQZGDP-UHFFFAOYSA-N
- Formula
- C9H16O4
- SMILES
- CCOC(=O)CC1(C)OCCCO1
- Molecular Weight1
- 188.22
- CAS
- 6290-17-1
- Other Names
-
- Acetoacetic acid, ethyl ester, 1,2-propylene ketal
- Ethyl 2,4-dimethyl-1,3-dioxolane-2-acetate
- Ethylacetoacetate propyleneglycol ketal
- 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).
- 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 | 0.4814 | Relay (... Calculated Property | |
| ΔfG° | -362.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -820.00 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 23.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.93 | kJ/mol | Relay (... Calculated Property |
| IE | 9.56 | eV | Relay (... Calculated Property |
| log10WS | -0.65 | Relay (... Calculated Property | |
| logPoct/wat | 1.093 | Crippen Calculated Property | |
| McVol | 145.990 | ml/mol | McGowan Calculated Property |
| Pc | 3072.75 | kPa | Joback Calculated Property |
| Tboil | 481.46 | K | Relay (... Calculated Property |
| Tc | 678.64 | K | Relay (... Calculated Property |
| Tfus | 238.33 | K | Relay (... Calculated Property |
| Vc | 0.551 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [370.35; 452.09] | J/mol×K | [555.30; 769.11] | 
|
| Cp,gas | 370.35 | J/mol×K | 555.30 | Joback Calculated Property |
| Cp,gas | 385.91 | J/mol×K | 590.93 | Joback Calculated Property |
| Cp,gas | 400.58 | J/mol×K | 626.57 | Joback Calculated Property |
| Cp,gas | 414.44 | J/mol×K | 662.20 | Joback Calculated Property |
| Cp,gas | 427.59 | J/mol×K | 697.84 | Joback Calculated Property |
| Cp,gas | 440.11 | J/mol×K | 733.47 | Joback Calculated Property |
| Cp,gas | 452.09 | J/mol×K | 769.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Dioxolane-2-acetic acid, 2,4-dimethyl-, ethyl ester.
Sources
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