- InChI
- InChI=1S/C24H39ClO3/c1-3-4-5-6-7-8-9-10-11-12-13-18-28-24(26)15-14-19-27-23-17-16-22(25)20-21(23)2/h16-17,20H,3-15,18-19H2,1-2H3
- InChI Key
- YNFWZKLRUMOIHX-UHFFFAOYSA-N
- Formula
- C24H39ClO3
- SMILES
-
CCCCCCCCCCCCCOC(=O)CCCOc1ccc(C
l)cc1C - Molecular Weight1
- 411.02
- 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° | -106.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -717.86 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 59.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.57 | kJ/mol | Joback Calculated Property |
| log10WS | -8.31 | Crippen Calculated Property | |
| logPoct/wat | 7.662 | Crippen Calculated Property | |
| McVol | 350.810 | ml/mol | McGowan Calculated Property |
| Pc | 959.10 | kPa | Joback Calculated Property |
| Inp | [3527.00; 3527.00] |
|
|
| Inp | 3527.00 | NIST | |
| Inp | 3527.00 | NIST | |
| Tboil | 921.30 | K | Joback Calculated Property |
| Tc | 1128.55 | K | Joback Calculated Property |
| Tfus | 536.01 | K | Joback Calculated Property |
| Vc | 1.363 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1128.98; 1215.50] | J/mol×K | [921.30; 1128.55] |
|
| Cp,gas | 1128.98 | J/mol×K | 921.30 | Joback Calculated Property |
| Cp,gas | 1146.60 | J/mol×K | 955.84 | Joback Calculated Property |
| Cp,gas | 1162.89 | J/mol×K | 990.38 | Joback Calculated Property |
| Cp,gas | 1177.89 | J/mol×K | 1024.93 | Joback Calculated Property |
| Cp,gas | 1191.64 | J/mol×K | 1059.47 | Joback Calculated Property |
| Cp,gas | 1204.16 | J/mol×K | 1094.01 | Joback Calculated Property |
| Cp,gas | 1215.50 | J/mol×K | 1128.55 | Joback Calculated Property |
| η | [0.0000281; 0.0003316] | Pa×s | [536.01; 921.30] |
|
| η | 0.0003316 | Pa×s | 536.01 | Joback Calculated Property |
| η | 0.0001764 | Pa×s | 600.23 | Joback Calculated Property |
| η | 0.0001060 | Pa×s | 664.44 | Joback Calculated Property |
| η | 0.0000697 | Pa×s | 728.65 | Joback Calculated Property |
| η | 0.0000490 | Pa×s | 792.87 | Joback Calculated Property |
| η | 0.0000364 | Pa×s | 857.08 | Joback Calculated Property |
| η | 0.0000281 | Pa×s | 921.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-(4-Chloro-2-methylphenoxy)butyric acid, tridecyl ester.
Sources
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