- InChI
- InChI=1S/C16H23ClO3/c1-2-3-4-5-6-7-10-20-15-9-8-13(11-14(15)17)12-16(18)19/h8-9,11H,2-7,10,12H2,1H3,(H,18,19)
- InChI Key
- IHBVRZFITXXSHI-UHFFFAOYSA-N
- Formula
- C16H23ClO3
- SMILES
- CCCCCCCCOc1ccc(CC(=O)O)cc1Cl
- Molecular Weight1
- 298.81
- 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).
- 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 |
|---|---|---|---|
| ω | 1.0038 | Relay (1.0) Calculated Property | |
| ΔfG° | -205.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -668.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.18 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.19 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.706 | Crippen Calculated Property | |
| McVol | 238.090 | ml/mol | McGowan Calculated Property |
| Pc | 1807.70 | kPa | Joback Calculated Property |
| Inp | [2305.00; 2305.00] |
|
|
| Inp | 2305.00 | NIST | |
| Inp | 2305.00 | NIST | |
| Tboil | 617.94 | K | Relay (1.0) Calculated Property |
| Tc | 862.25 | K | Relay (1.0) Calculated Property |
| Tfus | 362.13 | K | Relay (1.0) Calculated Property |
| Vc | 0.871 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [688.62; 755.79] | J/mol×K | [808.02; 1004.20] |
|
| Cp,gas | 688.62 | J/mol×K | 808.02 | Joback Calculated Property |
| Cp,gas | 701.81 | J/mol×K | 840.72 | Joback Calculated Property |
| Cp,gas | 714.17 | J/mol×K | 873.41 | Joback Calculated Property |
| Cp,gas | 725.73 | J/mol×K | 906.11 | Joback Calculated Property |
| Cp,gas | 736.50 | J/mol×K | 938.81 | Joback Calculated Property |
| Cp,gas | 746.51 | J/mol×K | 971.50 | Joback Calculated Property |
| Cp,gas | 755.79 | J/mol×K | 1004.20 | Joback Calculated Property |
| η | [0.0000198; 0.0005429] | Pa×s | [484.44; 808.02] |
|
| η | 0.0005429 | Pa×s | 484.44 | Joback Calculated Property |
| η | 0.0002371 | Pa×s | 538.37 | Joback Calculated Property |
| η | 0.0001204 | Pa×s | 592.30 | Joback Calculated Property |
| η | 0.0000684 | Pa×s | 646.23 | Joback Calculated Property |
| η | 0.0000425 | Pa×s | 700.16 | Joback Calculated Property |
| η | 0.0000282 | Pa×s | 754.09 | Joback Calculated Property |
| η | 0.0000198 | Pa×s | 808.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-(Octyloxy)-3-chlorophenylacetic acid.
Sources
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