- InChI
- InChI=1S/C19H19ClO4/c1-2-3-4-11-23-18(21)14-7-5-8-15(12-14)19(22)24-17-10-6-9-16(20)13-17/h5-10,12-13H,2-4,11H2,1H3
- InChI Key
- IAHULIFNMAGOQJ-UHFFFAOYSA-N
- Formula
- C19H19ClO4
- SMILES
-
CCCCCOC(=O)c1cccc(C(=O)Oc2cccc
(Cl)c2)c1 - Molecular Weight1
- 346.81
- 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° | -165.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -490.71 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.46 | kJ/mol | Joback Calculated Property |
| log10WS | -6.16 | Crippen Calculated Property | |
| logPoct/wat | 4.906 | Crippen Calculated Property | |
| McVol | 258.170 | ml/mol | McGowan Calculated Property |
| Pc | 1803.09 | kPa | Joback Calculated Property |
| Inp | 2762.00 | NIST | |
| Tboil | 887.45 | K | Joback Calculated Property |
| Tc | 1117.22 | K | Joback Calculated Property |
| Tfus | 556.01 | K | Joback Calculated Property |
| Vc | 0.981 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [746.25; 803.66] | J/mol×K | [887.45; 1117.22] | 
|
| Cp,gas | 746.25 | J/mol×K | 887.45 | Joback Calculated Property |
| Cp,gas | 758.85 | J/mol×K | 925.75 | Joback Calculated Property |
| Cp,gas | 770.20 | J/mol×K | 964.04 | Joback Calculated Property |
| Cp,gas | 780.32 | J/mol×K | 1002.34 | Joback Calculated Property |
| Cp,gas | 789.24 | J/mol×K | 1040.63 | Joback Calculated Property |
| Cp,gas | 797.01 | J/mol×K | 1078.93 | Joback Calculated Property |
| Cp,gas | 803.66 | J/mol×K | 1117.22 | Joback Calculated Property |
| η | [0.0000569; 0.0004190] | Pa×s | [556.01; 887.45] |
|
| η | 0.0004190 | Pa×s | 556.01 | Joback Calculated Property |
| η | 0.0002585 | Pa×s | 611.25 | Joback Calculated Property |
| η | 0.0001728 | Pa×s | 666.49 | Joback Calculated Property |
| η | 0.0001228 | Pa×s | 721.73 | Joback Calculated Property |
| η | 0.0000917 | Pa×s | 776.97 | Joback Calculated Property |
| η | 0.0000711 | Pa×s | 832.21 | Joback Calculated Property |
| η | 0.0000569 | Pa×s | 887.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 3-chlorophenyl pentyl ester.
Sources
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