- InChI
- InChI=1S/C18H21ClO4/c1-13-5-2-3-6-14(13)12-22-17(20)9-10-18(21)23-16-8-4-7-15(19)11-16/h4,7-8,11H,2-3,5-6,9-10,12H2,1H3
- InChI Key
- WTZOLTGMYXRHAC-UHFFFAOYSA-N
- Formula
- C18H21ClO4
- SMILES
-
CC1=C(COC(=O)CCC(=O)Oc2cccc(Cl
)c2)CCCC1 - Molecular Weight1
- 336.81
- 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° | -233.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -585.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.65 | kJ/mol | Joback Calculated Property |
| log10WS | -5.27 | Crippen Calculated Property | |
| logPoct/wat | 4.459 | Crippen Calculated Property | |
| McVol | 252.680 | ml/mol | McGowan Calculated Property |
| Pc | 1840.41 | kPa | Joback Calculated Property |
| Inp | 2634.00 | NIST | |
| Tboil | 866.25 | K | Joback Calculated Property |
| Tc | 1095.56 | K | Joback Calculated Property |
| Tfus | 543.22 | K | Joback Calculated Property |
| Vc | 0.953 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [747.34; 812.08] | J/mol×K | [866.25; 1095.56] | 
|
| Cp,gas | 747.34 | J/mol×K | 866.25 | Joback Calculated Property |
| Cp,gas | 761.41 | J/mol×K | 904.47 | Joback Calculated Property |
| Cp,gas | 774.13 | J/mol×K | 942.69 | Joback Calculated Property |
| Cp,gas | 785.53 | J/mol×K | 980.90 | Joback Calculated Property |
| Cp,gas | 795.64 | J/mol×K | 1019.12 | Joback Calculated Property |
| Cp,gas | 804.48 | J/mol×K | 1057.34 | Joback Calculated Property |
| Cp,gas | 812.08 | J/mol×K | 1095.56 | Joback Calculated Property |
| η | [0.0000558; 0.0004589] | Pa×s | [543.22; 866.25] |
|
| η | 0.0004589 | Pa×s | 543.22 | Joback Calculated Property |
| η | 0.0002757 | Pa×s | 597.06 | Joback Calculated Property |
| η | 0.0001802 | Pa×s | 650.90 | Joback Calculated Property |
| η | 0.0001257 | Pa×s | 704.73 | Joback Calculated Property |
| η | 0.0000923 | Pa×s | 758.57 | Joback Calculated Property |
| η | 0.0000706 | Pa×s | 812.41 | Joback Calculated Property |
| η | 0.0000558 | Pa×s | 866.25 | Joback Calculated Property |
Similar Compounds
Sources
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