- InChI
- InChI=1S/C15H19ClO4/c1-11(2)9-19-14(17)6-7-15(18)20-10-12-4-3-5-13(16)8-12/h3-5,8,11H,6-7,9-10H2,1-2H3
- InChI Key
- NTXZMKLDPLZRSY-UHFFFAOYSA-N
- Formula
- C15H19ClO4
- SMILES
-
CC(C)COC(=O)CCC(=O)OCc1cccc(Cl
)c1 - Molecular Weight1
- 298.76
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.7474 | Relay (1.0) Calculated Property | |
| ΔfG° | -304.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -753.59 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.38 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.93 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.21 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.363 | Crippen Calculated Property | |
| McVol | 225.570 | ml/mol | McGowan Calculated Property |
| Pc | 1925.36 | kPa | Joback Calculated Property |
| Inp | 2080.00 | NIST | |
| Tboil | 605.99 | K | Relay (1.0) Calculated Property |
| Tc | 800.64 | K | Relay (1.0) Calculated Property |
| Tfus | 284.01 | K | Relay (1.0) Calculated Property |
| Vc | 0.830 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [620.63; 689.38] | J/mol×K | [763.83; 974.13] | 
|
| Cp,gas | 620.63 | J/mol×K | 763.83 | Joback Calculated Property |
| Cp,gas | 634.52 | J/mol×K | 798.88 | Joback Calculated Property |
| Cp,gas | 647.43 | J/mol×K | 833.93 | Joback Calculated Property |
| Cp,gas | 659.36 | J/mol×K | 868.98 | Joback Calculated Property |
| Cp,gas | 670.31 | J/mol×K | 904.03 | Joback Calculated Property |
| Cp,gas | 680.32 | J/mol×K | 939.08 | Joback Calculated Property |
| Cp,gas | 689.38 | J/mol×K | 974.13 | Joback Calculated Property |
| η | [0.0000870; 0.0008947] | Pa×s | [456.99; 763.83] |
|
| η | 0.0008947 | Pa×s | 456.99 | Joback Calculated Property |
| η | 0.0004991 | Pa×s | 508.13 | Joback Calculated Property |
| η | 0.0003097 | Pa×s | 559.27 | Joback Calculated Property |
| η | 0.0002082 | Pa×s | 610.41 | Joback Calculated Property |
| η | 0.0001489 | Pa×s | 661.55 | Joback Calculated Property |
| η | 0.0001117 | Pa×s | 712.69 | Joback Calculated Property |
| η | 0.0000870 | Pa×s | 763.83 | Joback Calculated Property |
Similar Compounds
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Sources
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