- InChI
- InChI=1S/C12H20O4/c1-4-8-15-11(13)5-6-12(14)16-9-7-10(2)3/h2,4-9H2,1,3H3
- InChI Key
- ZUJFYESWLQIMRW-UHFFFAOYSA-N
- Formula
- C12H20O4
- SMILES
- C=C(C)CCOC(=O)CCC(=O)OCCC
- Molecular Weight1
- 228.28
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.6998 | Relay (1.0) Calculated Property | |
| ΔfG° | -338.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -817.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.46 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.29 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.53 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.229 | Crippen Calculated Property | |
| McVol | 190.520 | ml/mol | McGowan Calculated Property |
| Pc | 2009.10 | kPa | Joback Calculated Property |
| Inp | [1539.00; 1539.00] |
|
|
| Inp | 1539.00 | NIST | |
| Inp | 1539.00 | NIST | |
| Tboil | 541.55 | K | Relay (1.0) Calculated Property |
| Tc | 696.62 | K | Relay (1.0) Calculated Property |
| Tfus | 241.50 | K | Relay (1.0) Calculated Property |
| Vc | 0.717 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [493.88; 569.24] | J/mol×K | [623.10; 805.65] |
|
| Cp,gas | 493.88 | J/mol×K | 623.10 | Joback Calculated Property |
| Cp,gas | 508.04 | J/mol×K | 653.52 | Joback Calculated Property |
| Cp,gas | 521.56 | J/mol×K | 683.95 | Joback Calculated Property |
| Cp,gas | 534.43 | J/mol×K | 714.37 | Joback Calculated Property |
| Cp,gas | 546.67 | J/mol×K | 744.80 | Joback Calculated Property |
| Cp,gas | 558.27 | J/mol×K | 775.22 | Joback Calculated Property |
| Cp,gas | 569.24 | J/mol×K | 805.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 3-methylbut-3-enyl propyl ester.
Sources
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