- InChI
- InChI=1S/C20H36O4/c1-3-5-7-9-11-13-17-23-19(21)15-16-20(22)24-18-14-12-10-8-6-4-2/h15-16H,3-14,17-18H2,1-2H3/b16-15+
- InChI Key
- TVWTZAGVNBPXHU-FOCLMDBBSA-N
- Formula
- C20H36O4
- SMILES
-
CCCCCCCCOC(=O)C=CC(=O)OCCCCCCC
C - Molecular Weight1
- 340.50
- CAS
- 2997-85-5
- 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).
- 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 | 1.0291 | Relay (... Calculated Property | |
| ΔfG° | -270.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -969.30 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 53.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.08 | kJ/mol | Relay (... Calculated Property |
| IE | 9.89 | eV | Relay (... Calculated Property |
| log10WS | -6.26 | Relay (... Calculated Property | |
| logPoct/wat | 5.350 | Crippen Calculated Property | |
| McVol | 303.240 | ml/mol | McGowan Calculated Property |
| Pc | 1115.57 | kPa | Joback Calculated Property |
| Tboil | 608.12 | K | Relay (... Calculated Property |
| Tc | 778.01 | K | Relay (... Calculated Property |
| Tfus | 296.51 | K | Relay (... Calculated Property |
| Vc | 1.155 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [943.87; 1035.55] | J/mol×K | [813.74; 999.86] | 
|
| Cp,gas | 943.87 | J/mol×K | 813.74 | Joback Calculated Property |
| Cp,gas | 961.55 | J/mol×K | 844.76 | Joback Calculated Property |
| Cp,gas | 978.23 | J/mol×K | 875.78 | Joback Calculated Property |
| Cp,gas | 993.95 | J/mol×K | 906.80 | Joback Calculated Property |
| Cp,gas | 1008.72 | J/mol×K | 937.82 | Joback Calculated Property |
| Cp,gas | 1022.58 | J/mol×K | 968.84 | Joback Calculated Property |
| Cp,gas | 1035.55 | J/mol×K | 999.86 | Joback Calculated Property |
| η | [0.0000463; 0.0007807] | Pa×s | [454.40; 813.74] |
|
| η | 0.0007807 | Pa×s | 454.40 | Joback Calculated Property |
| η | 0.0003707 | Pa×s | 514.29 | Joback Calculated Property |
| η | 0.0002056 | Pa×s | 574.18 | Joback Calculated Property |
| η | 0.0001274 | Pa×s | 634.07 | Joback Calculated Property |
| η | 0.0000858 | Pa×s | 693.96 | Joback Calculated Property |
| η | 0.0000615 | Pa×s | 753.85 | Joback Calculated Property |
| η | 0.0000463 | Pa×s | 813.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butenedioic acid (e), dioctyl ester.
Sources
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