- InChI
- InChI=1S/C18H18O4/c1-2-21-17(19)15-9-6-10-16(13-15)18(20)22-12-11-14-7-4-3-5-8-14/h3-10,13H,2,11-12H2,1H3
- InChI Key
- FPQBLLRVFSTGCM-UHFFFAOYSA-N
- Formula
- C18H18O4
- SMILES
-
CCOC(=O)c1cccc(C(=O)OCCc2ccccc
2)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° | -151.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -442.86 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.19 | kJ/mol | Joback Calculated Property |
| log10WS | -4.41 | Crippen Calculated Property | |
| logPoct/wat | 3.263 | Crippen Calculated Property | |
| McVol | 231.840 | ml/mol | McGowan Calculated Property |
| Pc | 2053.03 | kPa | Joback Calculated Property |
| Inp | [2461.00; 2461.00] |
|
|
| Inp | 2461.00 | NIST | |
| Inp | 2461.00 | NIST | |
| Tboil | 822.16 | K | Joback Calculated Property |
| Tc | 1050.77 | K | Joback Calculated Property |
| Tfus | 502.30 | K | Joback Calculated Property |
| Vc | 0.875 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [668.19; 733.89] | J/mol×K | [822.16; 1050.77] |
|
| Cp,gas | 668.19 | J/mol×K | 822.16 | Joback Calculated Property |
| Cp,gas | 682.15 | J/mol×K | 860.26 | Joback Calculated Property |
| Cp,gas | 694.86 | J/mol×K | 898.36 | Joback Calculated Property |
| Cp,gas | 706.35 | J/mol×K | 936.47 | Joback Calculated Property |
| Cp,gas | 716.67 | J/mol×K | 974.57 | Joback Calculated Property |
| Cp,gas | 725.84 | J/mol×K | 1012.67 | Joback Calculated Property |
| Cp,gas | 733.89 | J/mol×K | 1050.77 | Joback Calculated Property |
| η | [0.0000734; 0.0006210] | Pa×s | [502.30; 822.16] |
|
| η | 0.0006210 | Pa×s | 502.30 | Joback Calculated Property |
| η | 0.0003667 | Pa×s | 555.61 | Joback Calculated Property |
| η | 0.0002375 | Pa×s | 608.92 | Joback Calculated Property |
| η | 0.0001649 | Pa×s | 662.23 | Joback Calculated Property |
| η | 0.0001210 | Pa×s | 715.54 | Joback Calculated Property |
| η | 0.0000926 | Pa×s | 768.85 | Joback Calculated Property |
| η | 0.0000734 | Pa×s | 822.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, ethyl phenylethyl ester.
Sources
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