- InChI
- InChI=1S/C18H21Cl3O4/c19-11-5-3-1-2-4-6-12-24-17(22)9-10-18(23)25-16-8-7-14(20)13-15(16)21/h7-10,13H,1-6,11-12H2/b10-9+
- InChI Key
- MDGVUJHZYAIXEG-MDZDMXLPSA-N
- Formula
- C18H21Cl3O4
- SMILES
-
O=C(C=CC(=O)Oc1ccc(Cl)cc1Cl)OC
CCCCCCCCl - Molecular Weight1
- 407.72
- 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° | -229.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -620.86 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 54.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.69 | kJ/mol | Joback Calculated Property |
| log10WS | -6.21 | Crippen Calculated Property | |
| logPoct/wat | 5.578 | Crippen Calculated Property | |
| McVol | 288.020 | ml/mol | McGowan Calculated Property |
| Pc | 1465.73 | kPa | Joback Calculated Property |
| Inp | [2928.00; 2928.00] |
|
|
| Inp | 2928.00 | NIST | |
| Inp | 2928.00 | NIST | |
| Tboil | 916.91 | K | Joback Calculated Property |
| Tc | 1135.61 | K | Joback Calculated Property |
| Tfus | 573.08 | K | Joback Calculated Property |
| Vc | 1.111 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [807.30; 863.43] | J/mol×K | [916.91; 1135.61] |
|
| Cp,gas | 807.30 | J/mol×K | 916.91 | Joback Calculated Property |
| Cp,gas | 819.05 | J/mol×K | 953.36 | Joback Calculated Property |
| Cp,gas | 829.80 | J/mol×K | 989.81 | Joback Calculated Property |
| Cp,gas | 839.57 | J/mol×K | 1026.26 | Joback Calculated Property |
| Cp,gas | 848.41 | J/mol×K | 1062.71 | Joback Calculated Property |
| Cp,gas | 856.35 | J/mol×K | 1099.16 | Joback Calculated Property |
| Cp,gas | 863.43 | J/mol×K | 1135.61 | Joback Calculated Property |
| η | [0.0000410; 0.0003248] | Pa×s | [573.08; 916.91] |
|
| η | 0.0003248 | Pa×s | 573.08 | Joback Calculated Property |
| η | 0.0001967 | Pa×s | 630.38 | Joback Calculated Property |
| η | 0.0001295 | Pa×s | 687.69 | Joback Calculated Property |
| η | 0.0000909 | Pa×s | 744.99 | Joback Calculated Property |
| η | 0.0000671 | Pa×s | 802.30 | Joback Calculated Property |
| η | 0.0000516 | Pa×s | 859.60 | Joback Calculated Property |
| η | 0.0000410 | Pa×s | 916.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2,4-dichlorophenyl 8-chlorooctyl ester.
Sources
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