- InChI
- InChI=1S/C20H22O4/c1-3-4-7-13-23-19(21)16-10-8-11-17(14-16)20(22)24-18-12-6-5-9-15(18)2/h5-6,8-12,14H,3-4,7,13H2,1-2H3
- InChI Key
- NXNLJZXUQCLKNY-UHFFFAOYSA-N
- Formula
- C20H22O4
- SMILES
-
CCCCCOC(=O)c1cccc(C(=O)Oc2cccc
c2C)c1 - Molecular Weight1
- 326.39
- 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° | -144.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -495.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.30 | kJ/mol | Joback Calculated Property |
| log10WS | -5.95 | Crippen Calculated Property | |
| logPoct/wat | 4.561 | Crippen Calculated Property | |
| McVol | 260.020 | ml/mol | McGowan Calculated Property |
| Pc | 1716.03 | kPa | Joback Calculated Property |
| Inp | [2638.00; 2638.00] |
|
|
| Inp | 2638.00 | NIST | |
| Inp | 2638.00 | NIST | |
| Tboil | 872.90 | K | Joback Calculated Property |
| Tc | 1097.43 | K | Joback Calculated Property |
| Tfus | 537.36 | K | Joback Calculated Property |
| Vc | 0.988 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [780.36; 846.26] | J/mol×K | [872.90; 1097.43] |
|
| Cp,gas | 780.36 | J/mol×K | 872.90 | Joback Calculated Property |
| Cp,gas | 794.45 | J/mol×K | 910.32 | Joback Calculated Property |
| Cp,gas | 807.26 | J/mol×K | 947.74 | Joback Calculated Property |
| Cp,gas | 818.81 | J/mol×K | 985.17 | Joback Calculated Property |
| Cp,gas | 829.14 | J/mol×K | 1022.59 | Joback Calculated Property |
| Cp,gas | 838.28 | J/mol×K | 1060.01 | Joback Calculated Property |
| Cp,gas | 846.26 | J/mol×K | 1097.43 | Joback Calculated Property |
| η | [0.0000570; 0.0004522] | Pa×s | [537.36; 872.90] |
|
| η | 0.0004522 | Pa×s | 537.36 | Joback Calculated Property |
| η | 0.0002722 | Pa×s | 593.28 | Joback Calculated Property |
| η | 0.0001788 | Pa×s | 649.21 | Joback Calculated Property |
| η | 0.0001255 | Pa×s | 705.13 | Joback Calculated Property |
| η | 0.0000928 | Pa×s | 761.05 | Joback Calculated Property |
| η | 0.0000716 | Pa×s | 816.98 | Joback Calculated Property |
| η | 0.0000570 | Pa×s | 872.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 2-methylphenyl pentyl ester.
Sources
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