- InChI
- InChI=1S/C14H24O4/c1-4-10-17-13(15)7-5-6-8-14(16)18-11-9-12(2)3/h2,4-11H2,1,3H3
- InChI Key
- IIAKZBOCMIGQCL-UHFFFAOYSA-N
- Formula
- C14H24O4
- SMILES
- C=C(C)CCOC(=O)CCCCC(=O)OCCC
- Molecular Weight1
- 256.34
- 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 | 0.7831 | Relay (... Calculated Property | |
| ΔfG° | -321.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -860.95 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 35.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.64 | kJ/mol | Relay (... Calculated Property |
| IE | 9.15 | eV | Relay (... Calculated Property |
| log10WS | -2.90 | Relay (... Calculated Property | |
| logPoct/wat | 3.009 | Crippen Calculated Property | |
| McVol | 218.700 | ml/mol | McGowan Calculated Property |
| Pc | 1703.31 | kPa | Joback Calculated Property |
| Inp | [1742.00; 1742.00] |
|
|
| Inp | 1742.00 | NIST | |
| Inp | 1742.00 | NIST | |
| Tboil | 568.20 | K | Relay (... Calculated Property |
| Tc | 719.93 | K | Relay (... Calculated Property |
| Tfus | 245.98 | K | Relay (... Calculated Property |
| Vc | 0.825 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [598.65; 679.46] | J/mol×K | [668.86; 849.09] |
|
| Cp,gas | 598.65 | J/mol×K | 668.86 | Joback Calculated Property |
| Cp,gas | 613.92 | J/mol×K | 698.90 | Joback Calculated Property |
| Cp,gas | 628.46 | J/mol×K | 728.94 | Joback Calculated Property |
| Cp,gas | 642.28 | J/mol×K | 758.98 | Joback Calculated Property |
| Cp,gas | 655.38 | J/mol×K | 789.01 | Joback Calculated Property |
| Cp,gas | 667.77 | J/mol×K | 819.05 | Joback Calculated Property |
| Cp,gas | 679.46 | J/mol×K | 849.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, 3-methylbut-3-enyl propyl ester.
Sources
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