- InChI
- InChI=1S/C21H24O4/c1-3-4-5-6-13-24-20(22)17-10-8-11-18(15-17)21(23)25-19-12-7-9-16(2)14-19/h7-12,14-15H,3-6,13H2,1-2H3
- InChI Key
- JQDUWZQHTPKMGC-UHFFFAOYSA-N
- Formula
- C21H24O4
- SMILES
-
CCCCCCOC(=O)c1cccc(C(=O)Oc2ccc
c(C)c2)c1 - Molecular Weight1
- 340.41
- 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° | -136.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -516.25 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.53 | kJ/mol | Joback Calculated Property |
| log10WS | -6.37 | Crippen Calculated Property | |
| logPoct/wat | 4.951 | Crippen Calculated Property | |
| McVol | 274.110 | ml/mol | McGowan Calculated Property |
| Pc | 1587.28 | kPa | Joback Calculated Property |
| Inp | [2782.00; 2782.00] |
|
|
| Inp | 2782.00 | NIST | |
| Inp | 2782.00 | NIST | |
| Tboil | 895.78 | K | Joback Calculated Property |
| Tc | 1118.92 | K | Joback Calculated Property |
| Tfus | 548.63 | K | Joback Calculated Property |
| Vc | 1.044 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [838.22; 904.28] | J/mol×K | [895.78; 1118.92] |
|
| Cp,gas | 838.22 | J/mol×K | 895.78 | Joback Calculated Property |
| Cp,gas | 852.39 | J/mol×K | 932.97 | Joback Calculated Property |
| Cp,gas | 865.25 | J/mol×K | 970.16 | Joback Calculated Property |
| Cp,gas | 876.83 | J/mol×K | 1007.35 | Joback Calculated Property |
| Cp,gas | 887.18 | J/mol×K | 1044.54 | Joback Calculated Property |
| Cp,gas | 896.32 | J/mol×K | 1081.73 | Joback Calculated Property |
| Cp,gas | 904.28 | J/mol×K | 1118.92 | Joback Calculated Property |
| η | [0.0000498; 0.0004108] | Pa×s | [548.63; 895.78] |
|
| η | 0.0004108 | Pa×s | 548.63 | Joback Calculated Property |
| η | 0.0002443 | Pa×s | 606.49 | Joback Calculated Property |
| η | 0.0001591 | Pa×s | 664.35 | Joback Calculated Property |
| η | 0.0001109 | Pa×s | 722.20 | Joback Calculated Property |
| η | 0.0000816 | Pa×s | 780.06 | Joback Calculated Property |
| η | 0.0000626 | Pa×s | 837.92 | Joback Calculated Property |
| η | 0.0000498 | Pa×s | 895.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, hexyl 3-methylphenyl ester.
Sources
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