- InChI
- InChI=1S/C22H29ClO4/c1-2-3-4-5-6-7-8-9-10-13-18-26-21(24)16-17-22(25)27-20-15-12-11-14-19(20)23/h10-17H,2-9,18H2,1H3/b13-10+,17-16+
- InChI Key
- QDBKPRFMAIRFGE-VTRAWOOYSA-N
- Formula
- C22H29ClO4
- SMILES
-
CCCCCCCCCC=CCOC(=O)C=CC(=O)Oc1
ccccc1Cl - Molecular Weight1
- 392.92
- 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° | -82.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -543.25 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 56.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.12 | kJ/mol | Joback Calculated Property |
| log10WS | -6.90 | Crippen Calculated Property | |
| logPoct/wat | 6.042 | Crippen Calculated Property | |
| McVol | 315.600 | ml/mol | McGowan Calculated Property |
| Pc | 1226.84 | kPa | Joback Calculated Property |
| Inp | [2850.00; 2850.00] |
|
|
| Inp | 2850.00 | NIST | |
| Inp | 2850.00 | NIST | |
| Tboil | 932.75 | K | Joback Calculated Property |
| Tc | 1147.92 | K | Joback Calculated Property |
| Tfus | 540.72 | K | Joback Calculated Property |
| Vc | 1.216 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [968.20; 1042.02] | J/mol×K | [932.75; 1147.92] |
|
| Cp,gas | 968.20 | J/mol×K | 932.75 | Joback Calculated Property |
| Cp,gas | 982.90 | J/mol×K | 968.61 | Joback Calculated Property |
| Cp,gas | 996.56 | J/mol×K | 1004.47 | Joback Calculated Property |
| Cp,gas | 1009.23 | J/mol×K | 1040.34 | Joback Calculated Property |
| Cp,gas | 1020.99 | J/mol×K | 1076.20 | Joback Calculated Property |
| Cp,gas | 1031.90 | J/mol×K | 1112.06 | Joback Calculated Property |
| Cp,gas | 1042.02 | J/mol×K | 1147.92 | Joback Calculated Property |
| η | [0.0000270; 0.0003311] | Pa×s | [540.72; 932.75] |
|
| η | 0.0003311 | Pa×s | 540.72 | Joback Calculated Property |
| η | 0.0001741 | Pa×s | 606.06 | Joback Calculated Property |
| η | 0.0001037 | Pa×s | 671.40 | Joback Calculated Property |
| η | 0.0000678 | Pa×s | 736.73 | Joback Calculated Property |
| η | 0.0000474 | Pa×s | 802.07 | Joback Calculated Property |
| η | 0.0000350 | Pa×s | 867.41 | Joback Calculated Property |
| η | 0.0000270 | Pa×s | 932.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2-chlorophenyl dodec-2-en-1-yl ester.
Sources
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