- InChI
- InChI=1S/C18H18O4/c1-3-10-21-17(19)14-7-5-8-15(12-14)18(20)22-16-9-4-6-13(2)11-16/h4-9,11-12H,3,10H2,1-2H3
- InChI Key
- RVVCXMLSERZZPH-UHFFFAOYSA-N
- Formula
- C18H18O4
- SMILES
-
CCCOC(=O)c1cccc(C(=O)Oc2cccc(C
)c2)c1 - Molecular Weight1
- 298.33
- 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° | -161.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -454.33 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.85 | kJ/mol | Joback Calculated Property |
| log10WS | -5.11 | Crippen Calculated Property | |
| logPoct/wat | 3.781 | Crippen Calculated Property | |
| McVol | 231.840 | ml/mol | McGowan Calculated Property |
| Pc | 2025.41 | kPa | Joback Calculated Property |
| Inp | [2463.00; 2463.00] |
|
|
| Inp | 2463.00 | NIST | |
| Inp | 2463.00 | NIST | |
| Tboil | 827.14 | K | Joback Calculated Property |
| Tc | 1056.49 | K | Joback Calculated Property |
| Tfus | 514.82 | K | Joback Calculated Property |
| Vc | 0.875 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [666.96; 731.93] | J/mol×K | [827.14; 1056.49] |
|
| Cp,gas | 666.96 | J/mol×K | 827.14 | Joback Calculated Property |
| Cp,gas | 680.81 | J/mol×K | 865.36 | Joback Calculated Property |
| Cp,gas | 693.42 | J/mol×K | 903.59 | Joback Calculated Property |
| Cp,gas | 704.81 | J/mol×K | 941.81 | Joback Calculated Property |
| Cp,gas | 715.01 | J/mol×K | 980.04 | Joback Calculated Property |
| Cp,gas | 724.04 | J/mol×K | 1018.26 | Joback Calculated Property |
| Cp,gas | 731.93 | J/mol×K | 1056.49 | Joback Calculated Property |
| η | [0.0000743; 0.0005404] | Pa×s | [514.82; 827.14] |
|
| η | 0.0005404 | Pa×s | 514.82 | Joback Calculated Property |
| η | 0.0003335 | Pa×s | 566.87 | Joback Calculated Property |
| η | 0.0002232 | Pa×s | 618.93 | Joback Calculated Property |
| η | 0.0001590 | Pa×s | 670.98 | Joback Calculated Property |
| η | 0.0001189 | Pa×s | 723.03 | Joback Calculated Property |
| η | 0.0000925 | Pa×s | 775.09 | Joback Calculated Property |
| η | 0.0000743 | Pa×s | 827.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 3-methylphenyl propyl ester.
Sources
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