- InChI
- InChI=1S/C9H14O4/c1-6(2)7(9(11)13-4)5-8(10)12-3/h5H2,1-4H3
- InChI Key
- MILMBEYRSAHUMS-UHFFFAOYSA-N
- Formula
- C9H14O4
- SMILES
- COC(=O)CC(C(=O)OC)=C(C)C
- Molecular Weight1
- 186.21
- CAS
- 87384-00-7
- 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 | 0.5263 | Relay (... Calculated Property | |
| ΔfG° | -379.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -708.53 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 22.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.40 | kJ/mol | Relay (... Calculated Property |
| IE | 8.80 | eV | Relay (... Calculated Property |
| log10WS | -1.65 | Relay (... Calculated Property | |
| logPoct/wat | 1.059 | Crippen Calculated Property | |
| McVol | 148.250 | ml/mol | McGowan Calculated Property |
| Pc | 2690.21 | kPa | Joback Calculated Property |
| Tboil | 495.10 | K | Relay (... Calculated Property |
| Tc | 679.13 | K | Relay (... Calculated Property |
| Tfus | 302.83 | K | Relay (... Calculated Property |
| Vc | 0.536 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [348.40; 413.51] | J/mol×K | [561.82; 757.56] | 
|
| Cp,gas | 348.40 | J/mol×K | 561.82 | Joback Calculated Property |
| Cp,gas | 360.63 | J/mol×K | 594.44 | Joback Calculated Property |
| Cp,gas | 372.29 | J/mol×K | 627.07 | Joback Calculated Property |
| Cp,gas | 383.41 | J/mol×K | 659.69 | Joback Calculated Property |
| Cp,gas | 393.99 | J/mol×K | 692.31 | Joback Calculated Property |
| Cp,gas | 404.01 | J/mol×K | 724.93 | Joback Calculated Property |
| Cp,gas | 413.51 | J/mol×K | 757.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethyl isopropylidene succinate.
Sources
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