- InChI
- InChI=1S/C21H36O4/c1-4-6-7-8-9-10-11-12-13-14-18-24-20(22)16-17-21(23)25-19(3)15-5-2/h13-14,16-17,19H,4-12,15,18H2,1-3H3/b14-13+,17-16+
- InChI Key
- WNTLQWODZAODBM-VLDVYECUSA-N
- Formula
- C21H36O4
- SMILES
-
CCCCCCCCCC=CCOC(=O)C=CC(=O)OC(
C)CCC - Molecular Weight1
- 352.51
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -183.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -737.21 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 52.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.18 | kJ/mol | Joback Calculated Property |
| log10WS | -6.16 | Crippen Calculated Property | |
| logPoct/wat | 5.514 | Crippen Calculated Property | |
| McVol | 313.030 | ml/mol | McGowan Calculated Property |
| Pc | 1089.22 | kPa | Joback Calculated Property |
| Inp | [2408.00; 2408.00] |
|
|
| Inp | 2408.00 | NIST | |
| Inp | 2408.00 | NIST | |
| Tboil | 840.34 | K | Joback Calculated Property |
| Tc | 1032.59 | K | Joback Calculated Property |
| Tfus | 445.59 | K | Joback Calculated Property |
| Vc | 1.214 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [978.97; 1070.35] | J/mol×K | [840.34; 1032.59] |
|
| Cp,gas | 978.97 | J/mol×K | 840.34 | Joback Calculated Property |
| Cp,gas | 996.60 | J/mol×K | 872.38 | Joback Calculated Property |
| Cp,gas | 1013.21 | J/mol×K | 904.42 | Joback Calculated Property |
| Cp,gas | 1028.85 | J/mol×K | 936.47 | Joback Calculated Property |
| Cp,gas | 1043.56 | J/mol×K | 968.51 | Joback Calculated Property |
| Cp,gas | 1057.38 | J/mol×K | 1000.55 | Joback Calculated Property |
| Cp,gas | 1070.35 | J/mol×K | 1032.59 | Joback Calculated Property |
| η | [0.0000320; 0.0007690] | Pa×s | [445.59; 840.34] |
|
| η | 0.0007690 | Pa×s | 445.59 | Joback Calculated Property |
| η | 0.0003221 | Pa×s | 511.38 | Joback Calculated Property |
| η | 0.0001645 | Pa×s | 577.17 | Joback Calculated Property |
| η | 0.0000964 | Pa×s | 642.96 | Joback Calculated Property |
| η | 0.0000624 | Pa×s | 708.76 | Joback Calculated Property |
| η | 0.0000435 | Pa×s | 774.55 | Joback Calculated Property |
| η | 0.0000320 | Pa×s | 840.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2-pentyl dodec-2-en-1-yl ester.
Sources
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