- InChI
- InChI=1S/C16H22O4/c1-4-12(3)9-10-20-16(18)14-8-6-7-13(11-14)15(17)19-5-2/h6-8,11-12H,4-5,9-10H2,1-3H3
- InChI Key
- FGSUDAUHMDTHKE-UHFFFAOYSA-N
- Formula
- C16H22O4
- SMILES
-
CCOC(=O)c1cccc(C(=O)OCCC(C)CC)
c1 - Molecular Weight1
- 278.34
- 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° | -283.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -643.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.07 | kJ/mol | Joback Calculated Property |
| log10WS | -4.23 | Crippen Calculated Property | |
| logPoct/wat | 3.456 | Crippen Calculated Property | |
| McVol | 227.420 | ml/mol | McGowan Calculated Property |
| Pc | 1829.41 | kPa | Joback Calculated Property |
| Inp | [2040.00; 2040.00] |
|
|
| Inp | 2040.00 | NIST | |
| Inp | 2040.00 | NIST | |
| Tboil | 749.28 | K | Joback Calculated Property |
| Tc | 954.00 | K | Joback Calculated Property |
| Tfus | 438.34 | K | Joback Calculated Property |
| Vc | 0.866 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [649.00; 726.23] | J/mol×K | [749.28; 954.00] |
|
| Cp,gas | 649.00 | J/mol×K | 749.28 | Joback Calculated Property |
| Cp,gas | 664.35 | J/mol×K | 783.40 | Joback Calculated Property |
| Cp,gas | 678.69 | J/mol×K | 817.52 | Joback Calculated Property |
| Cp,gas | 692.04 | J/mol×K | 851.64 | Joback Calculated Property |
| Cp,gas | 704.40 | J/mol×K | 885.76 | Joback Calculated Property |
| Cp,gas | 715.80 | J/mol×K | 919.88 | Joback Calculated Property |
| Cp,gas | 726.23 | J/mol×K | 954.00 | Joback Calculated Property |
| η | [0.0000861; 0.0009839] | Pa×s | [438.34; 749.28] |
|
| η | 0.0009839 | Pa×s | 438.34 | Joback Calculated Property |
| η | 0.0005289 | Pa×s | 490.16 | Joback Calculated Property |
| η | 0.0003201 | Pa×s | 541.99 | Joback Calculated Property |
| η | 0.0002115 | Pa×s | 593.81 | Joback Calculated Property |
| η | 0.0001494 | Pa×s | 645.63 | Joback Calculated Property |
| η | 0.0001111 | Pa×s | 697.46 | Joback Calculated Property |
| η | 0.0000861 | Pa×s | 749.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, ethyl 3-methylpentyl ester.
Sources
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