- InChI
- InChI=1S/C10H11ClO4/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3
- InChI Key
- BUHYMJLFRZAFBF-UHFFFAOYSA-N
- Formula
- C10H11ClO4
- SMILES
- COc1cc(C(=O)Cl)cc(OC)c1OC
- Molecular Weight1
- 230.65
- CAS
- 4521-61-3
- Other Names
-
- Benzoyl chloride, 3,4,5-trimethoxy-
- Tri-O-methylgalloyl chloride
- Trimethylgalloyl chloride
- 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).
- Tboilr : Boiling point at reduced pressure (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° | -339.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -572.59 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.48 | kJ/mol | Joback Calculated Property |
| log10WS | -2.72 | Crippen Calculated Property | |
| logPoct/wat | 2.091 | Crippen Calculated Property | |
| McVol | 159.420 | ml/mol | McGowan Calculated Property |
| Pc | 2721.17 | kPa | Joback Calculated Property |
| Tboil | 628.38 | K | Joback Calculated Property |
| Tc | 843.30 | K | Joback Calculated Property |
| Tfus | 412.98 | K | Joback Calculated Property |
| Vc | 0.597 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [370.96; 432.13] | J/mol×K | [628.38; 843.30] | 
|
| Cp,gas | 370.96 | J/mol×K | 628.38 | Joback Calculated Property |
| Cp,gas | 382.73 | J/mol×K | 664.20 | Joback Calculated Property |
| Cp,gas | 393.90 | J/mol×K | 700.02 | Joback Calculated Property |
| Cp,gas | 404.46 | J/mol×K | 735.84 | Joback Calculated Property |
| Cp,gas | 414.37 | J/mol×K | 771.66 | Joback Calculated Property |
| Cp,gas | 423.60 | J/mol×K | 807.48 | Joback Calculated Property |
| Cp,gas | 432.13 | J/mol×K | 843.30 | Joback Calculated Property |
| η | [0.0001300; 0.0006375] | Pa×s | [412.98; 628.38] |
|
| η | 0.0006375 | Pa×s | 412.98 | Joback Calculated Property |
| η | 0.0004399 | Pa×s | 448.88 | Joback Calculated Property |
| η | 0.0003207 | Pa×s | 484.78 | Joback Calculated Property |
| η | 0.0002442 | Pa×s | 520.68 | Joback Calculated Property |
| η | 0.0001927 | Pa×s | 556.58 | Joback Calculated Property |
| η | 0.0001564 | Pa×s | 592.48 | Joback Calculated Property |
| η | 0.0001300 | Pa×s | 628.38 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 458.20 | K | 2.40 | NIST |
Similar Compounds
Find more compounds similar to 3,4,5-Trimethoxybenzoyl chloride.
Sources
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