- InChI
- InChI=1S/C7H10O4/c1-4(2)5(7(10)11)3-6(8)9/h3H2,1-2H3,(H,8,9)(H,10,11)
- InChI Key
- GYXGAEAOIFNGAE-UHFFFAOYSA-N
- Formula
- C7H10O4
- SMILES
- CC(C)=C(CC(=O)O)C(=O)O
- Molecular Weight1
- 158.15
- CAS
- 584-27-0
- Other Names
-
- Isopropylidene-succinic acid
- 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 | 0.7748 | Relay (1.0) Calculated Property | |
| ΔfG° | -460.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -759.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.38 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.15 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.64 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.882 | Crippen Calculated Property | |
| McVol | 120.070 | ml/mol | McGowan Calculated Property |
| Pc | 4339.67 | kPa | Joback Calculated Property |
| Tboil | 514.56 | K | Relay (1.0) Calculated Property |
| Tc | 751.49 | K | Relay (1.0) Calculated Property |
| Tfus | 411.70 | K | Relay (1.0) Calculated Property |
| Vc | 0.413 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [301.22; 339.67] | J/mol×K | [655.58; 838.83] | 
|
| Cp,gas | 301.22 | J/mol×K | 655.58 | Joback Calculated Property |
| Cp,gas | 308.54 | J/mol×K | 686.12 | Joback Calculated Property |
| Cp,gas | 315.48 | J/mol×K | 716.66 | Joback Calculated Property |
| Cp,gas | 322.03 | J/mol×K | 747.21 | Joback Calculated Property |
| Cp,gas | 328.24 | J/mol×K | 777.75 | Joback Calculated Property |
| Cp,gas | 334.11 | J/mol×K | 808.29 | Joback Calculated Property |
| Cp,gas | 339.67 | J/mol×K | 838.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Isopropylidenebutanedioic acid.
Sources
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