- InChI
- InChI=1S/C18H16O5/c1-2-10-22-17(20)13-7-5-8-14(11-13)18(21)23-16-9-4-3-6-15(16)12-19/h3-9,11-12H,2,10H2,1H3
- InChI Key
- AFBOUVIRXANXQA-UHFFFAOYSA-N
- Formula
- C18H16O5
- SMILES
-
CCCOC(=O)c1cccc(C(=O)Oc2ccccc2
C=O)c1 - Molecular Weight1
- 312.32
- 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° | -261.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -539.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.57 | kJ/mol | Joback Calculated Property |
| log10WS | -4.88 | Crippen Calculated Property | |
| logPoct/wat | 3.285 | Crippen Calculated Property | |
| McVol | 233.410 | ml/mol | McGowan Calculated Property |
| Pc | 2167.36 | kPa | Joback Calculated Property |
| Inp | [2633.00; 2633.00] |
|
|
| Inp | 2633.00 | NIST | |
| Inp | 2633.00 | NIST | |
| Tboil | 875.80 | K | Joback Calculated Property |
| Tc | 1107.05 | K | Joback Calculated Property |
| Tfus | 556.82 | K | Joback Calculated Property |
| Vc | 0.892 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [677.39; 729.54] | J/mol×K | [875.80; 1107.05] |
|
| Cp,gas | 677.39 | J/mol×K | 875.80 | Joback Calculated Property |
| Cp,gas | 689.06 | J/mol×K | 914.34 | Joback Calculated Property |
| Cp,gas | 699.51 | J/mol×K | 952.88 | Joback Calculated Property |
| Cp,gas | 708.76 | J/mol×K | 991.43 | Joback Calculated Property |
| Cp,gas | 716.83 | J/mol×K | 1029.97 | Joback Calculated Property |
| Cp,gas | 723.74 | J/mol×K | 1068.51 | Joback Calculated Property |
| Cp,gas | 729.54 | J/mol×K | 1107.05 | Joback Calculated Property |
| η | [0.0000812; 0.0005411] | Pa×s | [556.82; 875.80] |
|
| η | 0.0005411 | Pa×s | 556.82 | Joback Calculated Property |
| η | 0.0003437 | Pa×s | 609.98 | Joback Calculated Property |
| η | 0.0002348 | Pa×s | 663.15 | Joback Calculated Property |
| η | 0.0001698 | Pa×s | 716.31 | Joback Calculated Property |
| η | 0.0001284 | Pa×s | 769.47 | Joback Calculated Property |
| η | 0.0001006 | Pa×s | 822.64 | Joback Calculated Property |
| η | 0.0000812 | Pa×s | 875.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 2-formylphenyl propyl ester.
Sources
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