- InChI
- InChI=1S/C21H33ClO3/c1-3-4-5-6-7-8-9-10-15-25-21(23)12-11-16-24-20-14-13-19(22)17-18(20)2/h13-14,17H,3-12,15-16H2,1-2H3
- InChI Key
- NYSMPKZWYRLOIP-UHFFFAOYSA-N
- Formula
- C21H33ClO3
- SMILES
-
CCCCCCCCCCOC(=O)CCCOc1ccc(Cl)c
c1C - Molecular Weight1
- 368.94
- 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° | -131.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -655.94 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 51.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.89 | kJ/mol | Joback Calculated Property |
| log10WS | -7.06 | Crippen Calculated Property | |
| logPoct/wat | 6.491 | Crippen Calculated Property | |
| McVol | 308.540 | ml/mol | McGowan Calculated Property |
| Pc | 1156.14 | kPa | Joback Calculated Property |
| Inp | [3216.00; 3216.00] |
|
|
| Inp | 3216.00 | NIST | |
| Inp | 3216.00 | NIST | |
| Tboil | 852.66 | K | Joback Calculated Property |
| Tc | 1051.71 | K | Joback Calculated Property |
| Tfus | 502.20 | K | Joback Calculated Property |
| Vc | 1.194 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [946.13; 1030.63] | J/mol×K | [852.66; 1051.71] |
|
| Cp,gas | 946.13 | J/mol×K | 852.66 | Joback Calculated Property |
| Cp,gas | 962.98 | J/mol×K | 885.83 | Joback Calculated Property |
| Cp,gas | 978.69 | J/mol×K | 919.01 | Joback Calculated Property |
| Cp,gas | 993.29 | J/mol×K | 952.18 | Joback Calculated Property |
| Cp,gas | 1006.80 | J/mol×K | 985.36 | Joback Calculated Property |
| Cp,gas | 1019.24 | J/mol×K | 1018.53 | Joback Calculated Property |
| Cp,gas | 1030.63 | J/mol×K | 1051.71 | Joback Calculated Property |
| η | [0.0000434; 0.0004584] | Pa×s | [502.20; 852.66] |
|
| η | 0.0004584 | Pa×s | 502.20 | Joback Calculated Property |
| η | 0.0002522 | Pa×s | 560.61 | Joback Calculated Property |
| η | 0.0001553 | Pa×s | 619.02 | Joback Calculated Property |
| η | 0.0001040 | Pa×s | 677.43 | Joback Calculated Property |
| η | 0.0000742 | Pa×s | 735.84 | Joback Calculated Property |
| η | 0.0000556 | Pa×s | 794.25 | Joback Calculated Property |
| η | 0.0000434 | Pa×s | 852.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-(4-Chloro-2-methylphenoxy)butyric acid, decyl ester.
Sources
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