- InChI
- InChI=1S/C20H21ClO4/c1-3-4-5-11-24-19(22)15-7-6-8-16(13-15)20(23)25-17-9-10-18(21)14(2)12-17/h6-10,12-13H,3-5,11H2,1-2H3
- InChI Key
- UTFKHQRZPUTQDH-UHFFFAOYSA-N
- Formula
- C20H21ClO4
- SMILES
-
CCCCCOC(=O)c1cccc(C(=O)Oc2ccc(
Cl)c(C)c2)c1 - Molecular Weight1
- 360.83
- 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° | -166.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -522.82 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.35 | kJ/mol | Joback Calculated Property |
| log10WS | -6.64 | Crippen Calculated Property | |
| logPoct/wat | 5.215 | Crippen Calculated Property | |
| McVol | 272.260 | ml/mol | McGowan Calculated Property |
| Pc | 1644.42 | kPa | Joback Calculated Property |
| Inp | [2895.00; 2895.00] |
|
|
| Inp | 2895.00 | NIST | |
| Inp | 2895.00 | NIST | |
| Tboil | 915.31 | K | Joback Calculated Property |
| Tc | 1144.16 | K | Joback Calculated Property |
| Tfus | 579.80 | K | Joback Calculated Property |
| Vc | 1.036 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [802.07; 858.78] | J/mol×K | [915.31; 1144.16] |
|
| Cp,gas | 802.07 | J/mol×K | 915.31 | Joback Calculated Property |
| Cp,gas | 814.66 | J/mol×K | 953.45 | Joback Calculated Property |
| Cp,gas | 825.96 | J/mol×K | 991.59 | Joback Calculated Property |
| Cp,gas | 836.00 | J/mol×K | 1029.74 | Joback Calculated Property |
| Cp,gas | 844.79 | J/mol×K | 1067.88 | Joback Calculated Property |
| Cp,gas | 852.38 | J/mol×K | 1106.02 | Joback Calculated Property |
| Cp,gas | 858.78 | J/mol×K | 1144.16 | Joback Calculated Property |
| η | [0.0000505; 0.0003394] | Pa×s | [579.80; 915.31] |
|
| η | 0.0003394 | Pa×s | 579.80 | Joback Calculated Property |
| η | 0.0002149 | Pa×s | 635.72 | Joback Calculated Property |
| η | 0.0001464 | Pa×s | 691.64 | Joback Calculated Property |
| η | 0.0001057 | Pa×s | 747.56 | Joback Calculated Property |
| η | 0.0000798 | Pa×s | 803.47 | Joback Calculated Property |
| η | 0.0000625 | Pa×s | 859.39 | Joback Calculated Property |
| η | 0.0000505 | Pa×s | 915.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 4-chloro-3-methylphenyl pentyl ester.
Sources
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