- InChI
- InChI=1S/C15H19ClO4/c1-2-3-4-9-19-14(17)12-6-5-7-13(11-12)15(18)20-10-8-16/h5-7,11H,2-4,8-10H2,1H3
- InChI Key
- QWHKVBPWHPFWNU-UHFFFAOYSA-N
- Formula
- C15H19ClO4
- SMILES
-
CCCCCOC(=O)c1cccc(C(=O)OCCCl)c
1 - 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 | 0.8663 | Relay (1.0) Calculated Property | |
| ΔfG° | -301.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -763.19 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.57 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.429 | Crippen Calculated Property | |
| McVol | 225.570 | ml/mol | McGowan Calculated Property |
| Pc | 1911.91 | kPa | Joback Calculated Property |
| Inp | 2262.00 | NIST | |
| Tboil | 616.74 | K | Relay (1.0) Calculated Property |
| Tc | 825.89 | K | Relay (1.0) Calculated Property |
| Tfus | 289.79 | K | Relay (1.0) Calculated Property |
| Vc | 0.826 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [620.06; 688.14] | J/mol×K | [764.27; 971.48] | 
|
| Cp,gas | 620.06 | J/mol×K | 764.27 | Joback Calculated Property |
| Cp,gas | 633.75 | J/mol×K | 798.81 | Joback Calculated Property |
| Cp,gas | 646.48 | J/mol×K | 833.34 | Joback Calculated Property |
| Cp,gas | 658.28 | J/mol×K | 867.88 | Joback Calculated Property |
| Cp,gas | 669.14 | J/mol×K | 902.41 | Joback Calculated Property |
| Cp,gas | 679.09 | J/mol×K | 936.95 | Joback Calculated Property |
| Cp,gas | 688.14 | J/mol×K | 971.48 | Joback Calculated Property |
| η | [0.0000945; 0.0007853] | Pa×s | [471.99; 764.27] |
|
| η | 0.0007853 | Pa×s | 471.99 | Joback Calculated Property |
| η | 0.0004679 | Pa×s | 520.70 | Joback Calculated Property |
| η | 0.0003046 | Pa×s | 569.42 | Joback Calculated Property |
| η | 0.0002121 | Pa×s | 618.13 | Joback Calculated Property |
| η | 0.0001558 | Pa×s | 666.84 | Joback Calculated Property |
| η | 0.0001193 | Pa×s | 715.56 | Joback Calculated Property |
| η | 0.0000945 | Pa×s | 764.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 2-chloroethyl pentyl ester.
Sources
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