- InChI
- InChI=1S/C17H25ClO3/c1-3-4-5-6-11-21-17(19)8-7-12-20-16-10-9-15(18)13-14(16)2/h9-10,13H,3-8,11-12H2,1-2H3
- InChI Key
- YLJLRVKCBMBORZ-UHFFFAOYSA-N
- Formula
- C17H25ClO3
- SMILES
- CCCCCCOC(=O)CCCOc1ccc(Cl)cc1C
- Molecular Weight1
- 312.83
- 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 | 0.8553 | Relay (1.0) Calculated Property | |
| ΔfG° | -165.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -657.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.16 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.931 | Crippen Calculated Property | |
| McVol | 252.180 | ml/mol | McGowan Calculated Property |
| Pc | 1529.46 | kPa | Joback Calculated Property |
| Inp | [2795.00; 2795.00] |
|
|
| Inp | 2795.00 | NIST | |
| Inp | 2795.00 | NIST | |
| Tboil | 625.14 | K | Relay (1.0) Calculated Property |
| Tc | 818.17 | K | Relay (1.0) Calculated Property |
| Tfus | 289.30 | K | Relay (1.0) Calculated Property |
| Vc | 0.939 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [713.02; 793.69] | J/mol×K | [761.14; 959.53] |
|
| Cp,gas | 713.02 | J/mol×K | 761.14 | Joback Calculated Property |
| Cp,gas | 728.84 | J/mol×K | 794.20 | Joback Calculated Property |
| Cp,gas | 743.69 | J/mol×K | 827.27 | Joback Calculated Property |
| Cp,gas | 757.59 | J/mol×K | 860.33 | Joback Calculated Property |
| Cp,gas | 770.54 | J/mol×K | 893.40 | Joback Calculated Property |
| Cp,gas | 782.57 | J/mol×K | 926.46 | Joback Calculated Property |
| Cp,gas | 793.69 | J/mol×K | 959.53 | Joback Calculated Property |
| η | [0.0000746; 0.0006654] | Pa×s | [457.12; 761.14] |
|
| η | 0.0006654 | Pa×s | 457.12 | Joback Calculated Property |
| η | 0.0003852 | Pa×s | 507.79 | Joback Calculated Property |
| η | 0.0002463 | Pa×s | 558.46 | Joback Calculated Property |
| η | 0.0001696 | Pa×s | 609.13 | Joback Calculated Property |
| η | 0.0001237 | Pa×s | 659.80 | Joback Calculated Property |
| η | 0.0000944 | Pa×s | 710.47 | Joback Calculated Property |
| η | 0.0000746 | Pa×s | 761.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-(4-Chloro-2-methylphenoxy)butyric acid, hexyl ester.
Sources
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