- InChI
- InChI=1S/C15H13ClO3/c1-18-14-9-13(16)8-7-12(14)10-19-15(17)11-5-3-2-4-6-11/h2-9H,10H2,1H3
- InChI Key
- CZPLZCFGVIJWRQ-UHFFFAOYSA-N
- Formula
- C15H13ClO3
- SMILES
- COc1cc(Cl)ccc1COC(=O)c1ccccc1
- Molecular Weight1
- 276.71
- 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).
- Inp : Non-polar retention indices.
- 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° | -69.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -295.57 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.81 | kJ/mol | Joback Calculated Property |
| log10WS | -4.63 | Crippen Calculated Property | |
| logPoct/wat | 3.706 | Crippen Calculated Property | |
| McVol | 200.240 | ml/mol | McGowan Calculated Property |
| Pc | 2417.12 | kPa | Joback Calculated Property |
| Inp | [2235.00; 2235.00] |
|
|
| Inp | 2235.00 | NIST | |
| Inp | 2235.00 | NIST | |
| Tboil | 742.06 | K | Joback Calculated Property |
| Tc | 980.29 | K | Joback Calculated Property |
| Tfus | 461.00 | K | Joback Calculated Property |
| Vc | 0.750 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [515.23; 580.67] | J/mol×K | [742.06; 980.29] |
|
| Cp,gas | 515.23 | J/mol×K | 742.06 | Joback Calculated Property |
| Cp,gas | 528.92 | J/mol×K | 781.77 | Joback Calculated Property |
| Cp,gas | 541.47 | J/mol×K | 821.47 | Joback Calculated Property |
| Cp,gas | 552.89 | J/mol×K | 861.18 | Joback Calculated Property |
| Cp,gas | 563.22 | J/mol×K | 900.88 | Joback Calculated Property |
| Cp,gas | 572.47 | J/mol×K | 940.59 | Joback Calculated Property |
| Cp,gas | 580.67 | J/mol×K | 980.29 | Joback Calculated Property |
| η | [0.0000975; 0.0006716] | Pa×s | [461.00; 742.06] |
|
| η | 0.0006716 | Pa×s | 461.00 | Joback Calculated Property |
| η | 0.0004198 | Pa×s | 507.84 | Joback Calculated Property |
| η | 0.0002840 | Pa×s | 554.69 | Joback Calculated Property |
| η | 0.0002042 | Pa×s | 601.53 | Joback Calculated Property |
| η | 0.0001540 | Pa×s | 648.37 | Joback Calculated Property |
| η | 0.0001207 | Pa×s | 695.22 | Joback Calculated Property |
| η | 0.0000975 | Pa×s | 742.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, (4-chloro-2-methoxyphenyl)methyl ester.
Sources
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