- InChI
- InChI=1S/C18H27ClO3/c1-3-4-5-6-7-12-22-18(20)9-8-13-21-17-11-10-16(19)14-15(17)2/h10-11,14H,3-9,12-13H2,1-2H3
- InChI Key
- ACRHGCFXTOOYHZ-UHFFFAOYSA-N
- Formula
- C18H27ClO3
- SMILES
- CCCCCCCOC(=O)CCCOc1ccc(Cl)cc1C
- Molecular Weight1
- 326.86
- 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 | 0.8946 | Relay (1.0) Calculated Property | |
| ΔfG° | -157.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -678.61 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.17 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.70 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.321 | Crippen Calculated Property | |
| McVol | 266.270 | ml/mol | McGowan Calculated Property |
| Pc | 1420.78 | kPa | Joback Calculated Property |
| Inp | 2895.00 | NIST | |
| Tboil | 632.60 | K | Relay (1.0) Calculated Property |
| Tc | 826.79 | K | Relay (1.0) Calculated Property |
| Tfus | 293.95 | K | Relay (1.0) Calculated Property |
| Vc | 0.994 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [769.94; 851.79] | J/mol×K | [784.02; 981.63] | 
|
| Cp,gas | 769.94 | J/mol×K | 784.02 | Joback Calculated Property |
| Cp,gas | 786.04 | J/mol×K | 816.96 | Joback Calculated Property |
| Cp,gas | 801.14 | J/mol×K | 849.89 | Joback Calculated Property |
| Cp,gas | 815.25 | J/mol×K | 882.83 | Joback Calculated Property |
| Cp,gas | 828.39 | J/mol×K | 915.76 | Joback Calculated Property |
| Cp,gas | 840.56 | J/mol×K | 948.70 | Joback Calculated Property |
| Cp,gas | 851.79 | J/mol×K | 981.63 | Joback Calculated Property |
| η | [0.0000655; 0.0006106] | Pa×s | [468.39; 784.02] |
|
| η | 0.0006106 | Pa×s | 468.39 | Joback Calculated Property |
| η | 0.0003488 | Pa×s | 521.00 | Joback Calculated Property |
| η | 0.0002208 | Pa×s | 573.60 | Joback Calculated Property |
| η | 0.0001509 | Pa×s | 626.20 | Joback Calculated Property |
| η | 0.0001094 | Pa×s | 678.81 | Joback Calculated Property |
| η | 0.0000831 | Pa×s | 731.41 | Joback Calculated Property |
| η | 0.0000655 | Pa×s | 784.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-(4-Chloro-2-methylphenoxy)butyric acid, heptyl ester.
Sources
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