- InChI
- InChI=1S/C18H23ClO4/c1-3-4-5-6-14(2)23-18(21)12-11-17(20)22-13-15-7-9-16(19)10-8-15/h7-12,14H,3-6,13H2,1-2H3/b12-11+
- InChI Key
- CUMZQXHDJYYOMQ-VAWYXSNFSA-N
- Formula
- C18H23ClO4
- SMILES
-
CCCCCC(C)OC(=O)C=CC(=O)OCc1ccc
(Cl)cc1 - Molecular Weight1
- 338.83
- 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° | -198.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -583.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.87 | kJ/mol | Joback Calculated Property |
| log10WS | -5.33 | Crippen Calculated Property | |
| logPoct/wat | 4.451 | Crippen Calculated Property | |
| McVol | 263.540 | ml/mol | McGowan Calculated Property |
| Pc | 1580.97 | kPa | Joback Calculated Property |
| Inp | [2394.00; 2394.00] |
|
|
| Inp | 2394.00 | NIST | |
| Inp | 2394.00 | NIST | |
| Tboil | 836.63 | K | Joback Calculated Property |
| Tc | 1048.04 | K | Joback Calculated Property |
| Tfus | 485.72 | K | Joback Calculated Property |
| Vc | 1.006 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [762.42; 832.56] | J/mol×K | [836.63; 1048.04] |
|
| Cp,gas | 762.42 | J/mol×K | 836.63 | Joback Calculated Property |
| Cp,gas | 776.62 | J/mol×K | 871.86 | Joback Calculated Property |
| Cp,gas | 789.77 | J/mol×K | 907.10 | Joback Calculated Property |
| Cp,gas | 801.91 | J/mol×K | 942.33 | Joback Calculated Property |
| Cp,gas | 813.06 | J/mol×K | 977.57 | Joback Calculated Property |
| Cp,gas | 823.27 | J/mol×K | 1012.80 | Joback Calculated Property |
| Cp,gas | 832.56 | J/mol×K | 1048.04 | Joback Calculated Property |
| η | [0.0000502; 0.0006195] | Pa×s | [485.72; 836.63] |
|
| η | 0.0006195 | Pa×s | 485.72 | Joback Calculated Property |
| η | 0.0003254 | Pa×s | 544.21 | Joback Calculated Property |
| η | 0.0001937 | Pa×s | 602.69 | Joback Calculated Property |
| η | 0.0001264 | Pa×s | 661.17 | Joback Calculated Property |
| η | 0.0000884 | Pa×s | 719.66 | Joback Calculated Property |
| η | 0.0000652 | Pa×s | 778.14 | Joback Calculated Property |
| η | 0.0000502 | Pa×s | 836.63 | Joback Calculated Property |
Similar Compounds
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Sources
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