- InChI
- InChI=1S/C25H31ClO4/c1-2-3-4-5-6-7-8-9-10-17-29-24(27)20-13-11-14-21(18-20)25(28)30-23-16-12-15-22(26)19-23/h11-16,18-19H,2-10,17H2,1H3
- InChI Key
- QVELUGNCGLEHGU-UHFFFAOYSA-N
- Formula
- C25H31ClO4
- SMILES
-
CCCCCCCCCCCOC(=O)c1cccc(C(=O)O
c2cccc(Cl)c2)c1 - Molecular Weight1
- 430.96
- 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 | 1.1524 | Relay (1.0) Calculated Property | |
| ΔfG° | -114.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -747.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 57.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 122.75 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.81 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.00 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.247 | Crippen Calculated Property | |
| McVol | 342.710 | ml/mol | McGowan Calculated Property |
| Pc | 1164.04 | kPa | Joback Calculated Property |
| Inp | [3409.00; 3409.00] |
|
|
| Inp | 3409.00 | NIST | |
| Inp | 3409.00 | NIST | |
| Tboil | 704.66 | K | Relay (1.0) Calculated Property |
| Tc | 953.06 | K | Relay (1.0) Calculated Property |
| Tfus | 316.10 | K | Relay (1.0) Calculated Property |
| Vc | 1.268 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1098.41; 1155.94] | J/mol×K | [1024.73; 1256.61] |
|
| Cp,gas | 1098.41 | J/mol×K | 1024.73 | Joback Calculated Property |
| Cp,gas | 1111.44 | J/mol×K | 1063.38 | Joback Calculated Property |
| Cp,gas | 1123.01 | J/mol×K | 1102.02 | Joback Calculated Property |
| Cp,gas | 1133.19 | J/mol×K | 1140.67 | Joback Calculated Property |
| Cp,gas | 1142.03 | J/mol×K | 1179.31 | Joback Calculated Property |
| Cp,gas | 1149.60 | J/mol×K | 1217.96 | Joback Calculated Property |
| Cp,gas | 1155.94 | J/mol×K | 1256.61 | Joback Calculated Property |
| η | [0.0000238; 0.0002187] | Pa×s | [623.63; 1024.73] |
|
| η | 0.0002187 | Pa×s | 623.63 | Joback Calculated Property |
| η | 0.0001263 | Pa×s | 690.48 | Joback Calculated Property |
| η | 0.0000804 | Pa×s | 757.33 | Joback Calculated Property |
| η | 0.0000550 | Pa×s | 824.18 | Joback Calculated Property |
| η | 0.0000399 | Pa×s | 891.03 | Joback Calculated Property |
| η | 0.0000302 | Pa×s | 957.88 | Joback Calculated Property |
| η | 0.0000238 | Pa×s | 1024.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 3-chlorophenyl undecyl ester.
Sources
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