- InChI
- InChI=1S/C19H34O4/c1-4-6-7-8-9-10-11-12-13-16-22-18(20)14-15-19(21)23-17(3)5-2/h14-15,17H,4-13,16H2,1-3H3/b15-14+
- InChI Key
- BHJPESYXXLVCMH-CCEZHUSRSA-N
- Formula
- C19H34O4
- SMILES
-
CCCCCCCCCCCOC(=O)C=CC(=O)OC(C)
CC - Molecular Weight1
- 326.47
- 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 | 0.9540 | Relay (1.0) Calculated Property | |
| ΔfG° | -280.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -973.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.82 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.76 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.958 | Crippen Calculated Property | |
| McVol | 289.150 | ml/mol | McGowan Calculated Property |
| Pc | 1197.30 | kPa | Joback Calculated Property |
| Inp | [2219.00; 2219.00] |
|
|
| Inp | 2219.00 | NIST | |
| Inp | 2219.00 | NIST | |
| Tboil | 589.97 | K | Relay (1.0) Calculated Property |
| Tc | 763.92 | K | Relay (1.0) Calculated Property |
| Tfus | 275.82 | K | Relay (1.0) Calculated Property |
| Vc | 1.087 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [884.58; 974.95] | J/mol×K | [790.42; 975.43] |
|
| Cp,gas | 884.58 | J/mol×K | 790.42 | Joback Calculated Property |
| Cp,gas | 901.98 | J/mol×K | 821.26 | Joback Calculated Property |
| Cp,gas | 918.41 | J/mol×K | 852.09 | Joback Calculated Property |
| Cp,gas | 933.89 | J/mol×K | 882.93 | Joback Calculated Property |
| Cp,gas | 948.47 | J/mol×K | 913.76 | Joback Calculated Property |
| Cp,gas | 962.14 | J/mol×K | 944.60 | Joback Calculated Property |
| Cp,gas | 974.95 | J/mol×K | 975.43 | Joback Calculated Property |
| η | [0.0000490; 0.0010369] | Pa×s | [428.13; 790.42] |
|
| η | 0.0010369 | Pa×s | 428.13 | Joback Calculated Property |
| η | 0.0004554 | Pa×s | 488.51 | Joback Calculated Property |
| η | 0.0002397 | Pa×s | 548.89 | Joback Calculated Property |
| η | 0.0001433 | Pa×s | 609.27 | Joback Calculated Property |
| η | 0.0000940 | Pa×s | 669.66 | Joback Calculated Property |
| η | 0.0000661 | Pa×s | 730.04 | Joback Calculated Property |
| η | 0.0000490 | Pa×s | 790.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2-butyl undecyl ester.
Sources
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