- InChI
- InChI=1S/C10H13ClO3/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-5H,6H2,1-3H3
- InChI Key
- XXRUQNNAKXZSOS-UHFFFAOYSA-N
- Formula
- C10H13ClO3
- SMILES
- COc1cc(CCl)cc(OC)c1OC
- Molecular Weight1
- 216.66
- CAS
- 3840-30-0
- Other Names
-
- Benzene, 5-(chloromethyl)-1,2,3-trimethoxy-
- 5-(chloromethyl)-1,2,3-trimethoxybenzene
- 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).
- 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 | 0.6234 | Relay (1.0) Calculated Property | |
| ΔfG° | -210.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -423.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.82 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.15 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.66 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.451 | Crippen Calculated Property | |
| McVol | 157.850 | ml/mol | McGowan Calculated Property |
| Pc | 2550.76 | kPa | Joback Calculated Property |
| Tboil | 560.67 | K | Relay (1.0) Calculated Property |
| Tc | 769.89 | K | Relay (1.0) Calculated Property |
| Tfus | 363.59 | K | Relay (1.0) Calculated Property |
| Vc | 0.571 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [356.49; 424.56] | J/mol×K | [574.51; 782.12] | 
|
| Cp,gas | 356.49 | J/mol×K | 574.51 | Joback Calculated Property |
| Cp,gas | 369.20 | J/mol×K | 609.11 | Joback Calculated Property |
| Cp,gas | 381.40 | J/mol×K | 643.71 | Joback Calculated Property |
| Cp,gas | 393.06 | J/mol×K | 678.32 | Joback Calculated Property |
| Cp,gas | 404.15 | J/mol×K | 712.92 | Joback Calculated Property |
| Cp,gas | 414.66 | J/mol×K | 747.52 | Joback Calculated Property |
| Cp,gas | 424.56 | J/mol×K | 782.12 | Joback Calculated Property |
| η | [0.0001232; 0.0006690] | Pa×s | [363.05; 574.51] |
|
| η | 0.0006690 | Pa×s | 363.05 | Joback Calculated Property |
| η | 0.0004454 | Pa×s | 398.29 | Joback Calculated Property |
| η | 0.0003168 | Pa×s | 433.54 | Joback Calculated Property |
| η | 0.0002372 | Pa×s | 468.78 | Joback Calculated Property |
| η | 0.0001849 | Pa×s | 504.02 | Joback Calculated Property |
| η | 0.0001489 | Pa×s | 539.27 | Joback Calculated Property |
| η | 0.0001232 | Pa×s | 574.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,4,5-Trimethoxybenzyl chloride.
Sources
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