- InChI
- InChI=1S/C18H32O4/c1-5-8-10-16(7-3)14-22-18(20)12-11-17(19)21-13-15(4)9-6-2/h11-12,15-16H,5-10,13-14H2,1-4H3/b12-11+
- InChI Key
- MDUKDEAVKVEWIZ-VAWYXSNFSA-N
- Formula
- C18H32O4
- SMILES
-
CCCCC(CC)COC(=O)C=CC(=O)OCC(C)
CCC - Molecular Weight1
- 312.44
- 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 | 0.8535 | Relay (... Calculated Property | |
| ΔfG° | -291.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -962.44 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 41.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.18 | kJ/mol | Relay (... Calculated Property |
| IE | 9.74 | eV | Relay (... Calculated Property |
| log10WS | -5.35 | Relay (... Calculated Property | |
| logPoct/wat | 4.282 | Crippen Calculated Property | |
| McVol | 275.060 | ml/mol | McGowan Calculated Property |
| Pc | 1288.36 | kPa | Joback Calculated Property |
| Inp | [2065.00; 2065.00] |
|
|
| Inp | 2065.00 | NIST | |
| Inp | 2065.00 | NIST | |
| Tboil | 593.89 | K | Relay (... Calculated Property |
| Tc | 755.19 | K | Relay (... Calculated Property |
| Tfus | 226.60 | K | Relay (... Calculated Property |
| Vc | 0.990 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [826.20; 915.59] | J/mol×K | [767.10; 952.42] |
|
| Cp,gas | 826.20 | J/mol×K | 767.10 | Joback Calculated Property |
| Cp,gas | 843.39 | J/mol×K | 797.99 | Joback Calculated Property |
| Cp,gas | 859.63 | J/mol×K | 828.87 | Joback Calculated Property |
| Cp,gas | 874.95 | J/mol×K | 859.76 | Joback Calculated Property |
| Cp,gas | 889.37 | J/mol×K | 890.65 | Joback Calculated Property |
| Cp,gas | 902.91 | J/mol×K | 921.53 | Joback Calculated Property |
| Cp,gas | 915.59 | J/mol×K | 952.42 | Joback Calculated Property |
| η | [0.0000519; 0.0014223] | Pa×s | [401.86; 767.10] |
|
| η | 0.0014223 | Pa×s | 401.86 | Joback Calculated Property |
| η | 0.0005699 | Pa×s | 462.73 | Joback Calculated Property |
| η | 0.0002825 | Pa×s | 523.61 | Joback Calculated Property |
| η | 0.0001620 | Pa×s | 584.48 | Joback Calculated Property |
| η | 0.0001032 | Pa×s | 645.35 | Joback Calculated Property |
| η | 0.0000711 | Pa×s | 706.23 | Joback Calculated Property |
| η | 0.0000519 | Pa×s | 767.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2-methylpentyl 2-ethylhexyl ester.
Sources
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