- InChI
- InChI=1S/C15H17ClO4/c1-10(2)9-19-14(17)6-7-15(18)20-13-8-11(3)4-5-12(13)16/h4-8,10H,9H2,1-3H3/b7-6+
- InChI Key
- QMXUCWZBIUTUSC-VOTSOKGWSA-N
- Formula
- C15H17ClO4
- SMILES
-
Cc1ccc(Cl)c(OC(=O)C=CC(=O)OCC(
C)C)c1 - Molecular Weight1
- 296.75
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.7456 | Relay (... Calculated Property | |
| ΔfG° | -233.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -693.16 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 34.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.91 | kJ/mol | Relay (... Calculated Property |
| IE | 8.80 | eV | Relay (... Calculated Property |
| log10WS | -4.81 | Relay (... Calculated Property | |
| logPoct/wat | 3.309 | Crippen Calculated Property | |
| McVol | 221.270 | ml/mol | McGowan Calculated Property |
| Pc | 1989.43 | kPa | Joback Calculated Property |
| Inp | 2087.00 | NIST | |
| Tboil | 593.55 | K | Relay (... Calculated Property |
| Tc | 809.27 | K | Relay (... Calculated Property |
| Tfus | 339.84 | K | Relay (... Calculated Property |
| Vc | 0.786 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [594.33; 659.80] | J/mol×K | [772.97; 990.82] | 
|
| Cp,gas | 594.33 | J/mol×K | 772.97 | Joback Calculated Property |
| Cp,gas | 607.57 | J/mol×K | 809.28 | Joback Calculated Property |
| Cp,gas | 619.86 | J/mol×K | 845.59 | Joback Calculated Property |
| Cp,gas | 631.20 | J/mol×K | 881.89 | Joback Calculated Property |
| Cp,gas | 641.63 | J/mol×K | 918.20 | Joback Calculated Property |
| Cp,gas | 651.15 | J/mol×K | 954.51 | Joback Calculated Property |
| Cp,gas | 659.80 | J/mol×K | 990.82 | Joback Calculated Property |
| η | [0.0000759; 0.0006946] | Pa×s | [464.43; 772.97] |
|
| η | 0.0006946 | Pa×s | 464.43 | Joback Calculated Property |
| η | 0.0003996 | Pa×s | 515.85 | Joback Calculated Property |
| η | 0.0002541 | Pa×s | 567.28 | Joback Calculated Property |
| η | 0.0001742 | Pa×s | 618.70 | Joback Calculated Property |
| η | 0.0001266 | Pa×s | 670.12 | Joback Calculated Property |
| η | 0.0000963 | Pa×s | 721.55 | Joback Calculated Property |
| η | 0.0000759 | Pa×s | 772.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2-chloro-5-methylphenyl isobutyl ester.
Sources
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