- InChI
- InChI=1S/C25H41ClO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-19-29-25(27)16-15-20-28-24-18-17-23(26)21-22(24)2/h17-18,21H,3-16,19-20H2,1-2H3
- InChI Key
- QHNPDYQMPIWYKA-UHFFFAOYSA-N
- Formula
- C25H41ClO3
- SMILES
-
CCCCCCCCCCCCCCOC(=O)CCCOc1ccc(
Cl)cc1C - Molecular Weight1
- 425.04
- 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° | -98.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -738.50 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 61.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.80 | kJ/mol | Joback Calculated Property |
| log10WS | -8.73 | Crippen Calculated Property | |
| logPoct/wat | 8.052 | Crippen Calculated Property | |
| McVol | 364.900 | ml/mol | McGowan Calculated Property |
| Pc | 904.52 | kPa | Joback Calculated Property |
| Inp | [1721.00; 1721.00] |
|
|
| Inp | 1721.00 | NIST | |
| Inp | 1721.00 | NIST | |
| Tboil | 944.18 | K | Joback Calculated Property |
| Tc | 1155.95 | K | Joback Calculated Property |
| Tfus | 547.28 | K | Joback Calculated Property |
| Vc | 1.419 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1191.11; 1278.26] | J/mol×K | [944.18; 1155.95] |
|
| Cp,gas | 1191.11 | J/mol×K | 944.18 | Joback Calculated Property |
| Cp,gas | 1209.02 | J/mol×K | 979.47 | Joback Calculated Property |
| Cp,gas | 1225.52 | J/mol×K | 1014.77 | Joback Calculated Property |
| Cp,gas | 1240.66 | J/mol×K | 1050.06 | Joback Calculated Property |
| Cp,gas | 1254.47 | J/mol×K | 1085.36 | Joback Calculated Property |
| Cp,gas | 1266.99 | J/mol×K | 1120.65 | Joback Calculated Property |
| Cp,gas | 1278.26 | J/mol×K | 1155.95 | Joback Calculated Property |
| η | [0.0000242; 0.0002956] | Pa×s | [547.28; 944.18] |
|
| η | 0.0002956 | Pa×s | 547.28 | Joback Calculated Property |
| η | 0.0001556 | Pa×s | 613.43 | Joback Calculated Property |
| η | 0.0000928 | Pa×s | 679.58 | Joback Calculated Property |
| η | 0.0000607 | Pa×s | 745.73 | Joback Calculated Property |
| η | 0.0000425 | Pa×s | 811.88 | Joback Calculated Property |
| η | 0.0000314 | Pa×s | 878.03 | Joback Calculated Property |
| η | 0.0000242 | Pa×s | 944.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-(4-Chloro-2-methylphenoxy)butyric acid, tetradecyl ester.
Sources
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