- InChI
- InChI=1S/C26H43ClO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-30-26(28)17-16-21-29-25-19-18-24(27)22-23(25)2/h18-19,22H,3-17,20-21H2,1-2H3
- InChI Key
- UVLNCXJMFBDJKT-UHFFFAOYSA-N
- Formula
- C26H43ClO3
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)CCCOc1ccc
(Cl)cc1C - Molecular Weight1
- 439.07
- 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° | -89.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -759.14 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 64.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.02 | kJ/mol | Joback Calculated Property |
| log10WS | -9.15 | Crippen Calculated Property | |
| logPoct/wat | 8.442 | Crippen Calculated Property | |
| McVol | 378.990 | ml/mol | McGowan Calculated Property |
| Pc | 854.46 | kPa | Joback Calculated Property |
| Inp | [1765.00; 1765.00] |
|
|
| Inp | 1765.00 | NIST | |
| Inp | 1765.00 | NIST | |
| Tboil | 967.06 | K | Joback Calculated Property |
| Tc | 1184.35 | K | Joback Calculated Property |
| Tfus | 558.55 | K | Joback Calculated Property |
| Vc | 1.474 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1253.73; 1341.52] | J/mol×K | [967.06; 1184.35] |
|
| Cp,gas | 1253.73 | J/mol×K | 967.06 | Joback Calculated Property |
| Cp,gas | 1271.96 | J/mol×K | 1003.28 | Joback Calculated Property |
| Cp,gas | 1288.69 | J/mol×K | 1039.49 | Joback Calculated Property |
| Cp,gas | 1303.97 | J/mol×K | 1075.71 | Joback Calculated Property |
| Cp,gas | 1317.83 | J/mol×K | 1111.92 | Joback Calculated Property |
| Cp,gas | 1330.34 | J/mol×K | 1148.14 | Joback Calculated Property |
| Cp,gas | 1341.52 | J/mol×K | 1184.35 | Joback Calculated Property |
| η | [0.0000208; 0.0002627] | Pa×s | [558.55; 967.06] |
|
| η | 0.0002627 | Pa×s | 558.55 | Joback Calculated Property |
| η | 0.0001369 | Pa×s | 626.63 | Joback Calculated Property |
| η | 0.0000810 | Pa×s | 694.72 | Joback Calculated Property |
| η | 0.0000527 | Pa×s | 762.80 | Joback Calculated Property |
| η | 0.0000368 | Pa×s | 830.89 | Joback Calculated Property |
| η | 0.0000271 | Pa×s | 898.97 | Joback Calculated Property |
| η | 0.0000208 | Pa×s | 967.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-(4-Chloro-2-methylphenoxy)butyric acid, pentadecyl ester.
Sources
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