- InChI
- InChI=1S/C18H18O5/c1-3-11-22-17(19)13-5-4-6-14(12-13)18(20)23-16-9-7-15(21-2)8-10-16/h4-10,12H,3,11H2,1-2H3
- InChI Key
- NHSYFFIKEWVDCB-UHFFFAOYSA-N
- Formula
- C18H18O5
- SMILES
-
CCCOC(=O)c1cccc(C(=O)Oc2ccc(OC
)cc2)c1 - Molecular Weight1
- 314.33
- 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° | -266.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -586.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.26 | kJ/mol | Joback Calculated Property |
| log10WS | -4.76 | Crippen Calculated Property | |
| logPoct/wat | 3.481 | Crippen Calculated Property | |
| McVol | 237.710 | ml/mol | McGowan Calculated Property |
| Pc | 1994.77 | kPa | Joback Calculated Property |
| Inp | [2667.00; 2667.00] |
|
|
| Inp | 2667.00 | NIST | |
| Inp | 2667.00 | NIST | |
| Tboil | 849.56 | K | Joback Calculated Property |
| Tc | 1077.01 | K | Joback Calculated Property |
| Tfus | 537.05 | K | Joback Calculated Property |
| Vc | 0.893 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [693.56; 753.43] | J/mol×K | [849.56; 1077.01] |
|
| Cp,gas | 693.56 | J/mol×K | 849.56 | Joback Calculated Property |
| Cp,gas | 706.79 | J/mol×K | 887.47 | Joback Calculated Property |
| Cp,gas | 718.71 | J/mol×K | 925.38 | Joback Calculated Property |
| Cp,gas | 729.32 | J/mol×K | 963.28 | Joback Calculated Property |
| Cp,gas | 738.65 | J/mol×K | 1001.19 | Joback Calculated Property |
| Cp,gas | 746.68 | J/mol×K | 1039.10 | Joback Calculated Property |
| Cp,gas | 753.43 | J/mol×K | 1077.01 | Joback Calculated Property |
| η | [0.0000563; 0.0003908] | Pa×s | [537.05; 849.56] |
|
| η | 0.0003908 | Pa×s | 537.05 | Joback Calculated Property |
| η | 0.0002454 | Pa×s | 589.13 | Joback Calculated Property |
| η | 0.0001661 | Pa×s | 641.22 | Joback Calculated Property |
| η | 0.0001193 | Pa×s | 693.31 | Joback Calculated Property |
| η | 0.0000897 | Pa×s | 745.39 | Joback Calculated Property |
| η | 0.0000700 | Pa×s | 797.47 | Joback Calculated Property |
| η | 0.0000563 | Pa×s | 849.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 4-methoxyphenyl propyl ester.
Sources
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