- InChI
- InChI=1S/C9H3ClO4/c10-7(11)4-1-2-5-6(3-4)9(13)14-8(5)12/h1-3H
- InChI Key
- NJMOHBDCGXJLNJ-UHFFFAOYSA-N
- Formula
- C9H3ClO4
- SMILES
- O=C(Cl)c1ccc2c(c1)C(=O)OC2=O
- Molecular Weight1
- 210.57
- CAS
- 1204-28-0
- Other Names
-
- 1,3-Benzofurandione-5-carbonyl chloride
- 4-(Chlorocarbonyl)phthalic anhydride
- 4-(Chlorocarboxy)benzenedicarboxylic anhydride
- 4-(Chloroformyl)phthalic anhydride
- Anhydrotrimellitic acid chloride
- NSC 89728
- Phthalic , 4-(chloroformyl)-,anhydride
- Phthalic anhydride, 4-(chloroformyl)-
- Trimellitic acid anhydride 4-monoacid chloride
- Trimellitic acid anhydride chloride
- Trimellitic anhydride acid chloride
- Trimellitic anhydride chloride
- Trimellitic anhydride monoacid chloride
- Trimellitic anhydride monochloride
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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 |
|---|---|---|---|
| ΔfH°gas | -576.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.70 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.16 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.376 | Crippen Calculated Property | |
| McVol | 125.870 | ml/mol | McGowan Calculated Property |
| Pc | 3896.50 | kPa | Joback Calculated Property |
| Tboil | 590.77 | K | Relay (1.0) Calculated Property |
| Tc | 871.08 | K | Relay (1.0) Calculated Property |
| Tfus | 370.16 | K | Relay (1.0) Calculated Property |
| Vc | 0.477 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [284.46; 323.13] | J/mol×K | [662.37; 904.00] | 
|
| Cp,gas | 284.46 | J/mol×K | 662.37 | Joback Calculated Property |
| Cp,gas | 292.47 | J/mol×K | 702.64 | Joback Calculated Property |
| Cp,gas | 299.81 | J/mol×K | 742.91 | Joback Calculated Property |
| Cp,gas | 306.51 | J/mol×K | 783.19 | Joback Calculated Property |
| Cp,gas | 312.61 | J/mol×K | 823.46 | Joback Calculated Property |
| Cp,gas | 318.13 | J/mol×K | 863.73 | Joback Calculated Property |
| Cp,gas | 323.13 | J/mol×K | 904.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Isobenzofurancarbonyl chloride, 1,3-dihydro-1,3-dioxo-.
Sources
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