- InChI
- InChI=1S/C13H10Cl3NO3/c1-2-5-17-11(18)3-4-12(19)20-13-9(15)6-8(14)7-10(13)16/h2-4,6-7H,1,5H2,(H,17,18)/b4-3+
- InChI Key
- DFLOCRBWCZQWAR-ONEGZZNKSA-N
- Formula
- C13H10Cl3NO3
- SMILES
-
C=CCNC(=O)C=CC(=O)Oc1c(Cl)cc(C
l)cc1Cl - Molecular Weight1
- 334.58
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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 | 0.7266 | Relay (1.0) Calculated Property | |
| ΔfG° | 0.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -377.25 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.99 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.89 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.411 | Crippen Calculated Property | |
| McVol | 217.380 | ml/mol | McGowan Calculated Property |
| Pc | 2322.54 | kPa | Joback Calculated Property |
| Inp | 2559.00 | NIST | |
| Tboil | 601.03 | K | Relay (1.0) Calculated Property |
| Tc | 881.24 | K | Relay (1.0) Calculated Property |
| Tfus | 354.97 | K | Relay (1.0) Calculated Property |
| Vc | 0.722 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [526.94; 571.31] | J/mol×K | [831.92; 1063.65] | 
|
| Cp,gas | 526.94 | J/mol×K | 831.92 | Joback Calculated Property |
| Cp,gas | 536.12 | J/mol×K | 870.54 | Joback Calculated Property |
| Cp,gas | 544.53 | J/mol×K | 909.16 | Joback Calculated Property |
| Cp,gas | 552.21 | J/mol×K | 947.79 | Joback Calculated Property |
| Cp,gas | 559.20 | J/mol×K | 986.41 | Joback Calculated Property |
| Cp,gas | 565.56 | J/mol×K | 1025.03 | Joback Calculated Property |
| Cp,gas | 571.31 | J/mol×K | 1063.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, monoamide, N-allyl-, 2,4,6-trichlorophenyl ester.
Sources
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