- InChI
- InChI=1S/C22H26O5/c1-3-4-5-6-7-15-26-21(23)17-9-8-10-18(16-17)22(24)27-20-13-11-19(25-2)12-14-20/h8-14,16H,3-7,15H2,1-2H3
- InChI Key
- ZLUDARUCILIWIA-UHFFFAOYSA-N
- Formula
- C22H26O5
- SMILES
-
CCCCCCCOC(=O)c1cccc(C(=O)Oc2cc
c(OC)cc2)c1 - Molecular Weight1
- 370.44
- 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° | -232.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -669.11 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.16 | kJ/mol | Joback Calculated Property |
| log10WS | -6.43 | Crippen Calculated Property | |
| logPoct/wat | 5.042 | Crippen Calculated Property | |
| McVol | 294.070 | ml/mol | McGowan Calculated Property |
| Pc | 1453.46 | kPa | Joback Calculated Property |
| Inp | [3095.00; 3095.00] |
|
|
| Inp | 3095.00 | NIST | |
| Inp | 3095.00 | NIST | |
| Tboil | 941.08 | K | Joback Calculated Property |
| Tc | 1164.13 | K | Joback Calculated Property |
| Tfus | 582.13 | K | Joback Calculated Property |
| Vc | 1.117 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [924.20; 983.08] | J/mol×K | [941.08; 1164.13] |
|
| Cp,gas | 924.20 | J/mol×K | 941.08 | Joback Calculated Property |
| Cp,gas | 937.58 | J/mol×K | 978.26 | Joback Calculated Property |
| Cp,gas | 949.51 | J/mol×K | 1015.43 | Joback Calculated Property |
| Cp,gas | 960.00 | J/mol×K | 1052.61 | Joback Calculated Property |
| Cp,gas | 969.08 | J/mol×K | 1089.78 | Joback Calculated Property |
| Cp,gas | 976.76 | J/mol×K | 1126.96 | Joback Calculated Property |
| Cp,gas | 983.08 | J/mol×K | 1164.13 | Joback Calculated Property |
| η | [0.0000323; 0.0002639] | Pa×s | [582.13; 941.08] |
|
| η | 0.0002639 | Pa×s | 582.13 | Joback Calculated Property |
| η | 0.0001580 | Pa×s | 641.95 | Joback Calculated Property |
| η | 0.0001032 | Pa×s | 701.78 | Joback Calculated Property |
| η | 0.0000721 | Pa×s | 761.61 | Joback Calculated Property |
| η | 0.0000531 | Pa×s | 821.43 | Joback Calculated Property |
| η | 0.0000407 | Pa×s | 881.25 | Joback Calculated Property |
| η | 0.0000323 | Pa×s | 941.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, heptyl 4-methoxyphenyl ester.
Sources
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