- InChI
- InChI=1S/C8H7ClO3/c1-12-7-3-5(4-10)2-6(9)8(7)11/h2-4,11H,1H3
- InChI Key
- ONIVKFDMLVBDRK-UHFFFAOYSA-N
- Formula
- C8H7ClO3
- SMILES
- COc1cc(C=O)cc(Cl)c1O
- Molecular Weight1
- 186.59
- CAS
- 19463-48-0
- Other Names
-
- Benzaldehyde, 3-chloro-4-hydroxy-5-methoxy-
- Vanillin, 5-chloro-
- 3-chlorovanillin
- 5-Chloro-4-hydroxy-3-methoxybenzaldehyde
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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 | 0.6286 | Relay (... Calculated Property | |
| ΔfG° | -261.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -402.01 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 23.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.77 | kJ/mol | Relay (... Calculated Property |
| IE | 8.77 | eV | Relay (... Calculated Property |
| log10WS | -1.89 | Relay (... Calculated Property | |
| logPoct/wat | 1.867 | Crippen Calculated Property | |
| McVol | 125.370 | ml/mol | McGowan Calculated Property |
| Pc | 4351.13 | kPa | Joback Calculated Property |
| Tboil | 529.92 | K | Relay (... Calculated Property |
| Tc | 828.53 | K | Relay (... Calculated Property |
| Tfus | 357.64 | K | Relay (... Calculated Property |
| Vc | 0.442 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [279.34; 323.91] | J/mol×K | [608.21; 840.75] | 
|
| Cp,gas | 279.34 | J/mol×K | 608.21 | Joback Calculated Property |
| Cp,gas | 288.00 | J/mol×K | 646.97 | Joback Calculated Property |
| Cp,gas | 296.10 | J/mol×K | 685.72 | Joback Calculated Property |
| Cp,gas | 303.68 | J/mol×K | 724.48 | Joback Calculated Property |
| Cp,gas | 310.82 | J/mol×K | 763.24 | Joback Calculated Property |
| Cp,gas | 317.54 | J/mol×K | 801.99 | Joback Calculated Property |
| Cp,gas | 323.91 | J/mol×K | 840.75 | Joback Calculated Property |
| η | [0.0000407; 0.0005303] | Pa×s | [437.25; 608.21] |
|
| η | 0.0005303 | Pa×s | 437.25 | Joback Calculated Property |
| η | 0.0003033 | Pa×s | 465.74 | Joback Calculated Property |
| η | 0.0001850 | Pa×s | 494.24 | Joback Calculated Property |
| η | 0.0001191 | Pa×s | 522.73 | Joback Calculated Property |
| η | 0.0000802 | Pa×s | 551.22 | Joback Calculated Property |
| η | 0.0000562 | Pa×s | 579.72 | Joback Calculated Property |
| η | 0.0000407 | Pa×s | 608.21 | Joback Calculated Property |
| ΔfusH | 39.40 | kJ/mol | 442.60 | NIST |
Similar Compounds
Find more compounds similar to 5-Chlorovanillin.
Sources
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