- InChI
- InChI=1S/C18H25ClO4/c1-4-16(13(2)3)23-18(21)7-5-6-17(20)22-12-14-8-10-15(19)11-9-14/h8-11,13,16H,4-7,12H2,1-3H3
- InChI Key
- FDMLNXASALJNCN-UHFFFAOYSA-N
- Formula
- C18H25ClO4
- SMILES
-
CCC(OC(=O)CCCC(=O)OCc1ccc(Cl)c
c1)C(C)C - Molecular Weight1
- 340.84
- 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° | -281.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -705.69 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.52 | kJ/mol | Joback Calculated Property |
| log10WS | -5.24 | Crippen Calculated Property | |
| logPoct/wat | 4.531 | Crippen Calculated Property | |
| McVol | 267.840 | ml/mol | McGowan Calculated Property |
| Pc | 1527.07 | kPa | Joback Calculated Property |
| Inp | [2346.00; 2346.00] |
|
|
| Inp | 2346.00 | NIST | |
| Inp | 2346.00 | NIST | |
| Tboil | 832.03 | K | Joback Calculated Property |
| Tc | 1040.64 | K | Joback Calculated Property |
| Tfus | 475.80 | K | Joback Calculated Property |
| Vc | 1.020 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [789.48; 861.84] | J/mol×K | [832.03; 1040.64] |
|
| Cp,gas | 789.48 | J/mol×K | 832.03 | Joback Calculated Property |
| Cp,gas | 804.30 | J/mol×K | 866.80 | Joback Calculated Property |
| Cp,gas | 817.99 | J/mol×K | 901.57 | Joback Calculated Property |
| Cp,gas | 830.57 | J/mol×K | 936.33 | Joback Calculated Property |
| Cp,gas | 842.05 | J/mol×K | 971.10 | Joback Calculated Property |
| Cp,gas | 852.47 | J/mol×K | 1005.87 | Joback Calculated Property |
| Cp,gas | 861.84 | J/mol×K | 1040.64 | Joback Calculated Property |
| η | [0.0000529; 0.0007660] | Pa×s | [475.80; 832.03] |
|
| η | 0.0007660 | Pa×s | 475.80 | Joback Calculated Property |
| η | 0.0003832 | Pa×s | 535.17 | Joback Calculated Property |
| η | 0.0002201 | Pa×s | 594.54 | Joback Calculated Property |
| η | 0.0001398 | Pa×s | 653.91 | Joback Calculated Property |
| η | 0.0000958 | Pa×s | 713.29 | Joback Calculated Property |
| η | 0.0000696 | Pa×s | 772.66 | Joback Calculated Property |
| η | 0.0000529 | Pa×s | 832.03 | Joback Calculated Property |
Similar Compounds
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Sources
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