- InChI
- InChI=1S/C25H39ClO4/c1-2-3-4-5-7-10-13-19-29-24(27)22-16-15-17-23(21-22)25(28)30-20-14-11-8-6-9-12-18-26/h15-17,21H,2-14,18-20H2,1H3
- InChI Key
- RDDBJPGALIAUSV-UHFFFAOYSA-N
- Formula
- C25H39ClO4
- SMILES
-
CCCCCCCCCOC(=O)c1cccc(C(=O)OCC
CCCCCCCl)c1 - Molecular Weight1
- 439.03
- 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° | -217.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -839.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 63.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.88 | kJ/mol | Joback Calculated Property |
| log10WS | -8.39 | Crippen Calculated Property | |
| logPoct/wat | 7.330 | Crippen Calculated Property | |
| McVol | 366.470 | ml/mol | McGowan Calculated Property |
| Pc | 948.50 | kPa | Joback Calculated Property |
| Inp | [3291.00; 3291.00] |
|
|
| Inp | 3291.00 | NIST | |
| Inp | 3291.00 | NIST | |
| Tboil | 993.07 | K | Joback Calculated Property |
| Tc | 1216.15 | K | Joback Calculated Property |
| Tfus | 584.69 | K | Joback Calculated Property |
| Vc | 1.425 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1207.72; 1283.10] | J/mol×K | [993.07; 1216.15] |
|
| Cp,gas | 1207.72 | J/mol×K | 993.07 | Joback Calculated Property |
| Cp,gas | 1223.86 | J/mol×K | 1030.25 | Joback Calculated Property |
| Cp,gas | 1238.49 | J/mol×K | 1067.43 | Joback Calculated Property |
| Cp,gas | 1251.68 | J/mol×K | 1104.61 | Joback Calculated Property |
| Cp,gas | 1263.48 | J/mol×K | 1141.79 | Joback Calculated Property |
| Cp,gas | 1273.94 | J/mol×K | 1178.97 | Joback Calculated Property |
| Cp,gas | 1283.10 | J/mol×K | 1216.15 | Joback Calculated Property |
| η | [0.0000223; 0.0002716] | Pa×s | [584.69; 993.07] |
|
| η | 0.0002716 | Pa×s | 584.69 | Joback Calculated Property |
| η | 0.0001441 | Pa×s | 652.75 | Joback Calculated Property |
| η | 0.0000862 | Pa×s | 720.82 | Joback Calculated Property |
| η | 0.0000563 | Pa×s | 788.88 | Joback Calculated Property |
| η | 0.0000394 | Pa×s | 856.94 | Joback Calculated Property |
| η | 0.0000290 | Pa×s | 925.01 | Joback Calculated Property |
| η | 0.0000223 | Pa×s | 993.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 8-chloroctyl nonyl ester.
Sources
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