- InChI
- InChI=1S/C19H29ClO2/c1-2-3-10-17-11-13-18(14-12-17)19(21)22-16-9-7-5-4-6-8-15-20/h11-14H,2-10,15-16H2,1H3
- InChI Key
- DNIOWYNMKWZRSK-UHFFFAOYSA-N
- Formula
- C19H29ClO2
- SMILES
- CCCCc1ccc(C(=O)OCCCCCCCCCl)cc1
- Molecular Weight1
- 324.88
- 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° | -33.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -470.97 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.37 | kJ/mol | Joback Calculated Property |
| log10WS | -6.44 | Crippen Calculated Property | |
| logPoct/wat | 5.765 | Crippen Calculated Property | |
| McVol | 274.490 | ml/mol | McGowan Calculated Property |
| Pc | 1354.63 | kPa | Joback Calculated Property |
| Inp | [2600.00; 2600.00] |
|
|
| Inp | 2600.00 | NIST | |
| Inp | 2600.00 | NIST | |
| Tboil | 779.50 | K | Joback Calculated Property |
| Tc | 975.71 | K | Joback Calculated Property |
| Tfus | 444.91 | K | Joback Calculated Property |
| Vc | 1.065 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [798.77; 885.33] | J/mol×K | [779.50; 975.71] |
|
| Cp,gas | 798.77 | J/mol×K | 779.50 | Joback Calculated Property |
| Cp,gas | 815.62 | J/mol×K | 812.20 | Joback Calculated Property |
| Cp,gas | 831.45 | J/mol×K | 844.90 | Joback Calculated Property |
| Cp,gas | 846.30 | J/mol×K | 877.61 | Joback Calculated Property |
| Cp,gas | 860.21 | J/mol×K | 910.31 | Joback Calculated Property |
| Cp,gas | 873.21 | J/mol×K | 943.01 | Joback Calculated Property |
| Cp,gas | 885.33 | J/mol×K | 975.71 | Joback Calculated Property |
| η | [0.0000750; 0.0009407] | Pa×s | [444.91; 779.50] |
|
| η | 0.0009407 | Pa×s | 444.91 | Joback Calculated Property |
| η | 0.0004880 | Pa×s | 500.68 | Joback Calculated Property |
| η | 0.0002888 | Pa×s | 556.44 | Joback Calculated Property |
| η | 0.0001880 | Pa×s | 612.20 | Joback Calculated Property |
| η | 0.0001315 | Pa×s | 667.97 | Joback Calculated Property |
| η | 0.0000972 | Pa×s | 723.73 | Joback Calculated Property |
| η | 0.0000750 | Pa×s | 779.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Butylbenzoic acid, 8-chlorooctyl ester.
Sources
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