- InChI
- InChI=1S/C19H17ClO5/c1-13(2)23-16-8-3-4-9-17(16)25-19(22)11-10-18(21)24-15-7-5-6-14(20)12-15/h3-13H,1-2H3/b11-10+
- InChI Key
- YOTRBBPIXZZBIE-ZHACJKMWSA-N
- Formula
- C19H17ClO5
- SMILES
-
CC(C)Oc1ccccc1OC(=O)C=CC(=O)Oc
1cccc(Cl)c1 - Molecular Weight1
- 360.79
- 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° | -192.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -510.99 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.44 | kJ/mol | Joback Calculated Property |
| log10WS | -5.36 | Crippen Calculated Property | |
| logPoct/wat | 4.194 | Crippen Calculated Property | |
| McVol | 259.740 | ml/mol | McGowan Calculated Property |
| Pc | 1870.79 | kPa | Joback Calculated Property |
| Inp | [2563.00; 2563.00] |
|
|
| Inp | 2563.00 | NIST | |
| Inp | 2563.00 | NIST | |
| Tboil | 913.59 | K | Joback Calculated Property |
| Tc | 1151.23 | K | Joback Calculated Property |
| Tfus | 558.16 | K | Joback Calculated Property |
| Vc | 0.973 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [744.58; 795.11] | J/mol×K | [913.59; 1151.23] |
|
| Cp,gas | 744.58 | J/mol×K | 913.59 | Joback Calculated Property |
| Cp,gas | 756.18 | J/mol×K | 953.20 | Joback Calculated Property |
| Cp,gas | 766.46 | J/mol×K | 992.80 | Joback Calculated Property |
| Cp,gas | 775.46 | J/mol×K | 1032.41 | Joback Calculated Property |
| Cp,gas | 783.22 | J/mol×K | 1072.01 | Joback Calculated Property |
| Cp,gas | 789.75 | J/mol×K | 1111.62 | Joback Calculated Property |
| Cp,gas | 795.11 | J/mol×K | 1151.23 | Joback Calculated Property |
| η | [0.0000341; 0.0002973] | Pa×s | [558.16; 913.59] |
|
| η | 0.0002973 | Pa×s | 558.16 | Joback Calculated Property |
| η | 0.0001743 | Pa×s | 617.40 | Joback Calculated Property |
| η | 0.0001122 | Pa×s | 676.64 | Joback Calculated Property |
| η | 0.0000775 | Pa×s | 735.88 | Joback Calculated Property |
| η | 0.0000566 | Pa×s | 795.11 | Joback Calculated Property |
| η | 0.0000431 | Pa×s | 854.35 | Joback Calculated Property |
| η | 0.0000341 | Pa×s | 913.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2-isopropoxyphenyl 3-chlorophenyl ester.
Sources
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