- InChI
- InChI=1S/C29H49ClO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-33-29(31)20-19-24-32-28-22-21-27(30)25-26(28)2/h21-22,25H,3-20,23-24H2,1-2H3
- InChI Key
- LTWFHUCTTCKZOK-UHFFFAOYSA-N
- Formula
- C29H49ClO3
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)CCCOc1
ccc(Cl)cc1C - Molecular Weight1
- 481.15
- 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° | -64.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -821.06 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 72.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.70 | kJ/mol | Joback Calculated Property |
| log10WS | -10.41 | Crippen Calculated Property | |
| logPoct/wat | 9.612 | Crippen Calculated Property | |
| McVol | 421.260 | ml/mol | McGowan Calculated Property |
| Pc | 726.92 | kPa | Joback Calculated Property |
| Inp | [1962.00; 1962.00] |
|
|
| Inp | 1962.00 | NIST | |
| Inp | 1962.00 | NIST | |
| Tboil | 1035.70 | K | Joback Calculated Property |
| Tc | 1276.38 | K | Joback Calculated Property |
| Tfus | 592.36 | K | Joback Calculated Property |
| Vc | 1.643 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1444.06; 1533.75] | J/mol×K | [1035.70; 1276.38] |
|
| Cp,gas | 1444.06 | J/mol×K | 1035.70 | Joback Calculated Property |
| Cp,gas | 1463.46 | J/mol×K | 1075.81 | Joback Calculated Property |
| Cp,gas | 1480.97 | J/mol×K | 1115.93 | Joback Calculated Property |
| Cp,gas | 1496.68 | J/mol×K | 1156.04 | Joback Calculated Property |
| Cp,gas | 1510.66 | J/mol×K | 1196.16 | Joback Calculated Property |
| Cp,gas | 1522.99 | J/mol×K | 1236.27 | Joback Calculated Property |
| Cp,gas | 1533.75 | J/mol×K | 1276.38 | Joback Calculated Property |
| η | [0.0000131; 0.0001813] | Pa×s | [592.36; 1035.70] |
|
| η | 0.0001813 | Pa×s | 592.36 | Joback Calculated Property |
| η | 0.0000918 | Pa×s | 666.25 | Joback Calculated Property |
| η | 0.0000533 | Pa×s | 740.14 | Joback Calculated Property |
| η | 0.0000341 | Pa×s | 814.03 | Joback Calculated Property |
| η | 0.0000235 | Pa×s | 887.92 | Joback Calculated Property |
| η | 0.0000172 | Pa×s | 961.81 | Joback Calculated Property |
| η | 0.0000131 | Pa×s | 1035.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-(4-Chloro-2-methylphenoxy)butyric acid, octadecyl ester.
Sources
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