- InChI
- InChI=1S/C7H4Cl2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11)
- InChI Key
- VPHHJAOJUJHJKD-UHFFFAOYSA-N
- Formula
- C7H4Cl2O2
- SMILES
- O=C(O)c1ccc(Cl)c(Cl)c1
- Molecular Weight1
- 191.01
- CAS
- 51-44-5
- Other Names
-
- 3,4-Dichlorobenzoic acid
- Synstigmine
- Syntostigmin
- Vagostigmin
- 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).
- 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° | -188.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -270.51 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.97 | kJ/mol | Joback Calculated Property |
| log10WS | -2.90 | Crippen Calculated Property | |
| logPoct/wat | 2.692 | Crippen Calculated Property | |
| McVol | 117.650 | ml/mol | McGowan Calculated Property |
| Pc | 4397.41 | kPa | Joback Calculated Property |
| Tboil | 617.11 | K | Joback Calculated Property |
| Tc | 836.94 | K | Joback Calculated Property |
| Tfus | [477.65; 477.65] | K |
|
| Tfus | 477.65 ± 1.00 | K | NIST |
| Tfus | 477.65 ± 1.00 | K | NIST |
| Vc | 0.443 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [231.22; 264.41] | J/mol×K | [617.11; 836.94] |
|
| Cp,gas | 231.22 | J/mol×K | 617.11 | Joback Calculated Property |
| Cp,gas | 237.87 | J/mol×K | 653.75 | Joback Calculated Property |
| Cp,gas | 244.04 | J/mol×K | 690.39 | Joback Calculated Property |
| Cp,gas | 249.76 | J/mol×K | 727.03 | Joback Calculated Property |
| Cp,gas | 255.05 | J/mol×K | 763.66 | Joback Calculated Property |
| Cp,gas | 259.93 | J/mol×K | 800.30 | Joback Calculated Property |
| Cp,gas | 264.41 | J/mol×K | 836.94 | Joback Calculated Property |
| η | [0.0001057; 0.0021517] | Pa×s | [390.70; 617.11] |
|
| η | 0.0021517 | Pa×s | 390.70 | Joback Calculated Property |
| η | 0.0010438 | Pa×s | 428.44 | Joback Calculated Property |
| η | 0.0005693 | Pa×s | 466.17 | Joback Calculated Property |
| η | 0.0003400 | Pa×s | 503.90 | Joback Calculated Property |
| η | 0.0002182 | Pa×s | 541.64 | Joback Calculated Property |
| η | 0.0001483 | Pa×s | 579.38 | Joback Calculated Property |
| η | 0.0001057 | Pa×s | 617.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 3,4-dichloro-.
Sources
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