- InChI
- InChI=1S/C20H31ClO3/c1-3-4-5-6-7-8-9-14-24-20(22)11-10-15-23-19-13-12-18(21)16-17(19)2/h12-13,16H,3-11,14-15H2,1-2H3
- InChI Key
- LLQUOUYJTSRTAG-UHFFFAOYSA-N
- Formula
- C20H31ClO3
- SMILES
-
CCCCCCCCCOC(=O)CCCOc1ccc(Cl)cc
1C - Molecular Weight1
- 354.91
- 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° | -140.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -635.30 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.66 | kJ/mol | Joback Calculated Property |
| log10WS | -6.64 | Crippen Calculated Property | |
| logPoct/wat | 6.101 | Crippen Calculated Property | |
| McVol | 294.450 | ml/mol | McGowan Calculated Property |
| Pc | 1235.48 | kPa | Joback Calculated Property |
| Inp | [3106.00; 3106.00] |
|
|
| Inp | 3106.00 | NIST | |
| Inp | 3106.00 | NIST | |
| Tboil | 829.78 | K | Joback Calculated Property |
| Tc | 1027.67 | K | Joback Calculated Property |
| Tfus | 490.93 | K | Joback Calculated Property |
| Vc | 1.139 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [886.57; 970.30] | J/mol×K | [829.78; 1027.67] |
|
| Cp,gas | 886.57 | J/mol×K | 829.78 | Joback Calculated Property |
| Cp,gas | 903.18 | J/mol×K | 862.76 | Joback Calculated Property |
| Cp,gas | 918.70 | J/mol×K | 895.74 | Joback Calculated Property |
| Cp,gas | 933.15 | J/mol×K | 928.73 | Joback Calculated Property |
| Cp,gas | 946.56 | J/mol×K | 961.71 | Joback Calculated Property |
| Cp,gas | 958.93 | J/mol×K | 994.69 | Joback Calculated Property |
| Cp,gas | 970.30 | J/mol×K | 1027.67 | Joback Calculated Property |
| η | [0.0000499; 0.0005066] | Pa×s | [490.93; 829.78] |
|
| η | 0.0005066 | Pa×s | 490.93 | Joback Calculated Property |
| η | 0.0002821 | Pa×s | 547.40 | Joback Calculated Property |
| η | 0.0001753 | Pa×s | 603.88 | Joback Calculated Property |
| η | 0.0001181 | Pa×s | 660.36 | Joback Calculated Property |
| η | 0.0000847 | Pa×s | 716.83 | Joback Calculated Property |
| η | 0.0000638 | Pa×s | 773.31 | Joback Calculated Property |
| η | 0.0000499 | Pa×s | 829.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-(4-Chloro-2-methylphenoxy)butyric acid, nonyl ester.
Sources
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