- InChI
- InChI=1S/C13H20O4/c1-5-10(3)12(14)16-8-7-9-17-13(15)11(4)6-2/h5-6H,7-9H2,1-4H3/b10-5+,11-6+
- InChI Key
- CUYYUCBNBIAVDR-YOYBCKCWSA-N
- Formula
- C13H20O4
- SMILES
- CC=C(C)C(=O)OCCCOC(=O)C(C)=CC
- Molecular Weight1
- 240.30
- 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 | 0.6806 | Relay (1.0) Calculated Property | |
| ΔfG° | -265.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -751.66 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.82 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.91 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.395 | Crippen Calculated Property | |
| McVol | 200.310 | ml/mol | McGowan Calculated Property |
| Pc | 1957.87 | kPa | Joback Calculated Property |
| Inp | 1745.00 | NIST | |
| Tboil | 545.81 | K | Relay (1.0) Calculated Property |
| Tc | 728.41 | K | Relay (1.0) Calculated Property |
| Tfus | 279.43 | K | Relay (1.0) Calculated Property |
| Vc | 0.734 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [524.57; 600.66] | J/mol×K | [657.50; 851.18] | 
|
| Cp,gas | 524.57 | J/mol×K | 657.50 | Joback Calculated Property |
| Cp,gas | 539.05 | J/mol×K | 689.78 | Joback Calculated Property |
| Cp,gas | 552.78 | J/mol×K | 722.06 | Joback Calculated Property |
| Cp,gas | 565.78 | J/mol×K | 754.34 | Joback Calculated Property |
| Cp,gas | 578.08 | J/mol×K | 786.62 | Joback Calculated Property |
| Cp,gas | 589.70 | J/mol×K | 818.90 | Joback Calculated Property |
| Cp,gas | 600.66 | J/mol×K | 851.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propane-1,3-diyl bis((E)-2-methylbut-2-enoate).
Sources
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