- InChI
- InChI=1S/C22H31ClO4/c1-3-4-5-6-7-8-9-10-11-16-26-21(24)14-15-22(25)27-20-17-18(2)12-13-19(20)23/h12-15,17H,3-11,16H2,1-2H3/b15-14+
- InChI Key
- VGDMPBSGYSHRRP-CCEZHUSRSA-N
- Formula
- C22H31ClO4
- SMILES
-
CCCCCCCCCCCOC(=O)C=CC(=O)Oc1cc
(C)ccc1Cl - Molecular Weight1
- 394.93
- 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° | -172.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -671.94 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 55.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.82 | kJ/mol | Joback Calculated Property |
| log10WS | -7.10 | Crippen Calculated Property | |
| logPoct/wat | 6.184 | Crippen Calculated Property | |
| McVol | 319.900 | ml/mol | McGowan Calculated Property |
| Pc | 1171.22 | kPa | Joback Calculated Property |
| Inp | 2865.00 | NIST | |
| Tboil | 933.57 | K | Joback Calculated Property |
| Tc | 1146.73 | K | Joback Calculated Property |
| Tfus | 558.32 | K | Joback Calculated Property |
| Vc | 1.236 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [995.47; 1068.36] | J/mol×K | [933.57; 1146.73] | 
|
| Cp,gas | 995.47 | J/mol×K | 933.57 | Joback Calculated Property |
| Cp,gas | 1010.41 | J/mol×K | 969.10 | Joback Calculated Property |
| Cp,gas | 1024.18 | J/mol×K | 1004.62 | Joback Calculated Property |
| Cp,gas | 1036.81 | J/mol×K | 1040.15 | Joback Calculated Property |
| Cp,gas | 1048.36 | J/mol×K | 1075.68 | Joback Calculated Property |
| Cp,gas | 1058.86 | J/mol×K | 1111.21 | Joback Calculated Property |
| Cp,gas | 1068.36 | J/mol×K | 1146.73 | Joback Calculated Property |
| η | [0.0000315; 0.0003143] | Pa×s | [558.32; 933.57] |
|
| η | 0.0003143 | Pa×s | 558.32 | Joback Calculated Property |
| η | 0.0001765 | Pa×s | 620.86 | Joback Calculated Property |
| η | 0.0001102 | Pa×s | 683.40 | Joback Calculated Property |
| η | 0.0000744 | Pa×s | 745.94 | Joback Calculated Property |
| η | 0.0000534 | Pa×s | 808.49 | Joback Calculated Property |
| η | 0.0000402 | Pa×s | 871.03 | Joback Calculated Property |
| η | 0.0000315 | Pa×s | 933.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2-chloro-5-methylphenyl undecyl ester.
Sources
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