- InChI
- InChI=1S/C15H26O4/c1-4-7-12-18-14(16)10-11-15(17)19-13(8-5-2)9-6-3/h10-11,13H,4-9,12H2,1-3H3/b11-10+
- InChI Key
- NNBUTFQSJGOBFJ-ZHACJKMWSA-N
- Formula
- C15H26O4
- SMILES
- CCCCOC(=O)C=CC(=O)OC(CCC)CCC
- Molecular Weight1
- 270.36
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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 | 0.7988 | Relay (1.0) Calculated Property | |
| ΔfG° | -314.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -881.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.54 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.78 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.44 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.398 | Crippen Calculated Property | |
| McVol | 232.790 | ml/mol | McGowan Calculated Property |
| Pc | 1592.35 | kPa | Joback Calculated Property |
| Inp | 1784.00 | NIST | |
| Tboil | 555.81 | K | Relay (1.0) Calculated Property |
| Tc | 719.20 | K | Relay (1.0) Calculated Property |
| Tfus | 231.48 | K | Relay (1.0) Calculated Property |
| Vc | 0.851 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [655.15; 738.52] | J/mol×K | [698.90; 881.96] | 
|
| Cp,gas | 655.15 | J/mol×K | 698.90 | Joback Calculated Property |
| Cp,gas | 671.00 | J/mol×K | 729.41 | Joback Calculated Property |
| Cp,gas | 686.05 | J/mol×K | 759.92 | Joback Calculated Property |
| Cp,gas | 700.31 | J/mol×K | 790.43 | Joback Calculated Property |
| Cp,gas | 713.80 | J/mol×K | 820.94 | Joback Calculated Property |
| Cp,gas | 726.53 | J/mol×K | 851.45 | Joback Calculated Property |
| Cp,gas | 738.52 | J/mol×K | 881.96 | Joback Calculated Property |
| η | [0.0000842; 0.0015587] | Pa×s | [383.05; 698.90] |
|
| η | 0.0015587 | Pa×s | 383.05 | Joback Calculated Property |
| η | 0.0007144 | Pa×s | 435.69 | Joback Calculated Property |
| η | 0.0003874 | Pa×s | 488.33 | Joback Calculated Property |
| η | 0.0002366 | Pa×s | 540.98 | Joback Calculated Property |
| η | 0.0001578 | Pa×s | 593.62 | Joback Calculated Property |
| η | 0.0001124 | Pa×s | 646.26 | Joback Calculated Property |
| η | 0.0000842 | Pa×s | 698.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, butyl 4-heptyl ester.
Sources
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