- InChI
- InChI=1S/C22H26O6/c1-4-5-6-7-14-27-21(23)16-10-8-11-17(15-16)22(24)28-20-18(25-2)12-9-13-19(20)26-3/h8-13,15H,4-7,14H2,1-3H3
- InChI Key
- CRBAGLMZBDUBNK-UHFFFAOYSA-N
- Formula
- C22H26O6
- SMILES
-
CCCCCCOC(=O)c1cccc(C(=O)Oc2c(O
C)cccc2OC)c1 - Molecular Weight1
- 386.44
- 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° | -347.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -812.80 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.24 | kJ/mol | Joback Calculated Property |
| log10WS | -6.13 | Crippen Calculated Property | |
| logPoct/wat | 4.660 | Crippen Calculated Property | |
| McVol | 299.940 | ml/mol | McGowan Calculated Property |
| Pc | 1418.64 | kPa | Joback Calculated Property |
| Inp | 3062.00 | NIST | |
| Tboil | 968.48 | K | Joback Calculated Property |
| Tc | 1193.61 | K | Joback Calculated Property |
| Tfus | 616.88 | K | Joback Calculated Property |
| Vc | 1.135 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [949.79; 998.61] | J/mol×K | [968.48; 1193.61] | 
|
| Cp,gas | 949.79 | J/mol×K | 968.48 | Joback Calculated Property |
| Cp,gas | 962.05 | J/mol×K | 1006.00 | Joback Calculated Property |
| Cp,gas | 972.66 | J/mol×K | 1043.52 | Joback Calculated Property |
| Cp,gas | 981.63 | J/mol×K | 1081.04 | Joback Calculated Property |
| Cp,gas | 988.94 | J/mol×K | 1118.56 | Joback Calculated Property |
| Cp,gas | 994.60 | J/mol×K | 1156.09 | Joback Calculated Property |
| Cp,gas | 998.61 | J/mol×K | 1193.61 | Joback Calculated Property |
| η | [0.0000246; 0.0001691] | Pa×s | [616.88; 968.48] |
|
| η | 0.0001691 | Pa×s | 616.88 | Joback Calculated Property |
| η | 0.0001067 | Pa×s | 675.48 | Joback Calculated Property |
| η | 0.0000725 | Pa×s | 734.08 | Joback Calculated Property |
| η | 0.0000521 | Pa×s | 792.68 | Joback Calculated Property |
| η | 0.0000392 | Pa×s | 851.28 | Joback Calculated Property |
| η | 0.0000306 | Pa×s | 909.88 | Joback Calculated Property |
| η | 0.0000246 | Pa×s | 968.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 2,6-dimethoxyphenyl hexyl ester.
Sources
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