- InChI
- InChI=1S/C16H21ClO4/c1-2-3-4-5-10-20-15(18)13-7-6-8-14(12-13)16(19)21-11-9-17/h6-8,12H,2-5,9-11H2,1H3
- InChI Key
- LRJLJLVTWFOUPT-UHFFFAOYSA-N
- Formula
- C16H21ClO4
- SMILES
-
CCCCCCOC(=O)c1cccc(C(=O)OCCCl)
c1 - Molecular Weight1
- 312.79
- 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 | 0.9064 | Relay (1.0) Calculated Property | |
| ΔfG° | -293.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -783.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.55 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.30 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.819 | Crippen Calculated Property | |
| McVol | 239.660 | ml/mol | McGowan Calculated Property |
| Pc | 1760.97 | kPa | Joback Calculated Property |
| Inp | [2366.00; 2366.00] |
|
|
| Inp | 2366.00 | NIST | |
| Inp | 2366.00 | NIST | |
| Tboil | 624.47 | K | Relay (1.0) Calculated Property |
| Tc | 834.97 | K | Relay (1.0) Calculated Property |
| Tfus | 291.02 | K | Relay (1.0) Calculated Property |
| Vc | 0.880 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [675.20; 744.69] | J/mol×K | [787.15; 992.74] |
|
| Cp,gas | 675.20 | J/mol×K | 787.15 | Joback Calculated Property |
| Cp,gas | 689.21 | J/mol×K | 821.42 | Joback Calculated Property |
| Cp,gas | 702.22 | J/mol×K | 855.68 | Joback Calculated Property |
| Cp,gas | 714.27 | J/mol×K | 889.95 | Joback Calculated Property |
| Cp,gas | 725.35 | J/mol×K | 924.21 | Joback Calculated Property |
| Cp,gas | 735.49 | J/mol×K | 958.48 | Joback Calculated Property |
| Cp,gas | 744.69 | J/mol×K | 992.74 | Joback Calculated Property |
| η | [0.0000828; 0.0007196] | Pa×s | [483.26; 787.15] |
|
| η | 0.0007196 | Pa×s | 483.26 | Joback Calculated Property |
| η | 0.0004230 | Pa×s | 533.91 | Joback Calculated Property |
| η | 0.0002726 | Pa×s | 584.56 | Joback Calculated Property |
| η | 0.0001884 | Pa×s | 635.21 | Joback Calculated Property |
| η | 0.0001376 | Pa×s | 685.85 | Joback Calculated Property |
| η | 0.0001049 | Pa×s | 736.50 | Joback Calculated Property |
| η | 0.0000828 | Pa×s | 787.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 2-chloroethyl hexyl ester.
Sources
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