- InChI
- InChI=1S/C16H23ClO3/c1-19-15-10-8-14(9-11-15)16(18)20-13-7-5-3-2-4-6-12-17/h8-11H,2-7,12-13H2,1H3
- InChI Key
- NBGBVTBBAOFRQV-UHFFFAOYSA-N
- Formula
- C16H23ClO3
- SMILES
- COc1ccc(C(=O)OCCCCCCCCCl)cc1
- Molecular Weight1
- 298.81
- 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° | -164.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -541.27 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.10 | kJ/mol | Joback Calculated Property |
| log10WS | -4.92 | Crippen Calculated Property | |
| logPoct/wat | 4.431 | Crippen Calculated Property | |
| McVol | 238.090 | ml/mol | McGowan Calculated Property |
| Pc | 1671.43 | kPa | Joback Calculated Property |
| Inp | 2417.00 | NIST | |
| Tboil | 733.28 | K | Joback Calculated Property |
| Tc | 932.17 | K | Joback Calculated Property |
| Tfus | 433.33 | K | Joback Calculated Property |
| Vc | 0.914 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [657.83; 737.60] | J/mol×K | [733.28; 932.17] | 
|
| Cp,gas | 657.83 | J/mol×K | 733.28 | Joback Calculated Property |
| Cp,gas | 673.43 | J/mol×K | 766.43 | Joback Calculated Property |
| Cp,gas | 688.09 | J/mol×K | 799.58 | Joback Calculated Property |
| Cp,gas | 701.82 | J/mol×K | 832.73 | Joback Calculated Property |
| Cp,gas | 714.64 | J/mol×K | 865.88 | Joback Calculated Property |
| Cp,gas | 726.56 | J/mol×K | 899.02 | Joback Calculated Property |
| Cp,gas | 737.60 | J/mol×K | 932.17 | Joback Calculated Property |
| η | [0.0000846; 0.0008637] | Pa×s | [433.33; 733.28] |
|
| η | 0.0008637 | Pa×s | 433.33 | Joback Calculated Property |
| η | 0.0004800 | Pa×s | 483.32 | Joback Calculated Property |
| η | 0.0002978 | Pa×s | 533.31 | Joback Calculated Property |
| η | 0.0002006 | Pa×s | 583.30 | Joback Calculated Property |
| η | 0.0001438 | Pa×s | 633.30 | Joback Calculated Property |
| η | 0.0001082 | Pa×s | 683.29 | Joback Calculated Property |
| η | 0.0000846 | Pa×s | 733.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Methoxybenzoic acid, 8-chlorooctyl ester.
Sources
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