- InChI
- InChI=1S/C22H29ClO4/c1-3-4-5-6-9-14-26-21(24)18-10-7-8-11-19(18)22(25)27-17-12-13-20(23)16(2)15-17/h7-8,12-13,15,18-19H,3-6,9-11,14H2,1-2H3
- InChI Key
- KDFROPAKHRGPHZ-UHFFFAOYSA-N
- Formula
- C22H29ClO4
- SMILES
-
CCCCCCCOC(=O)C1CC=CCC1C(=O)Oc1
ccc(Cl)c(C)c1 - Molecular Weight1
- 392.92
- 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° | -205.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -697.40 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 49.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.27 | kJ/mol | Joback Calculated Property |
| log10WS | -6.52 | Crippen Calculated Property | |
| logPoct/wat | 5.650 | Crippen Calculated Property | |
| McVol | 309.040 | ml/mol | McGowan Calculated Property |
| Pc | 1307.06 | kPa | Joback Calculated Property |
| Inp | [2808.00; 2808.00] |
|
|
| Inp | 2808.00 | NIST | |
| Inp | 2808.00 | NIST | |
| Tboil | 943.45 | K | Joback Calculated Property |
| Tc | 1167.27 | K | Joback Calculated Property |
| Tfus | 567.30 | K | Joback Calculated Property |
| Vc | 1.175 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [991.76; 1056.93] | J/mol×K | [943.45; 1167.27] |
|
| Cp,gas | 991.76 | J/mol×K | 943.45 | Joback Calculated Property |
| Cp,gas | 1006.49 | J/mol×K | 980.75 | Joback Calculated Property |
| Cp,gas | 1019.63 | J/mol×K | 1018.06 | Joback Calculated Property |
| Cp,gas | 1031.22 | J/mol×K | 1055.36 | Joback Calculated Property |
| Cp,gas | 1041.28 | J/mol×K | 1092.67 | Joback Calculated Property |
| Cp,gas | 1049.84 | J/mol×K | 1129.97 | Joback Calculated Property |
| Cp,gas | 1056.93 | J/mol×K | 1167.27 | Joback Calculated Property |
| η | [0.0000537; 0.0004423] | Pa×s | [567.30; 943.45] |
|
| η | 0.0004423 | Pa×s | 567.30 | Joback Calculated Property |
| η | 0.0002613 | Pa×s | 629.99 | Joback Calculated Property |
| η | 0.0001698 | Pa×s | 692.68 | Joback Calculated Property |
| η | 0.0001185 | Pa×s | 755.38 | Joback Calculated Property |
| η | 0.0000874 | Pa×s | 818.07 | Joback Calculated Property |
| η | 0.0000673 | Pa×s | 880.76 | Joback Calculated Property |
| η | 0.0000537 | Pa×s | 943.45 | Joback Calculated Property |
Similar Compounds
Sources
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