- InChI
- InChI=1S/C21H24O6/c1-4-5-6-13-26-20(22)15-9-7-10-16(14-15)21(23)27-19-17(24-2)11-8-12-18(19)25-3/h7-12,14H,4-6,13H2,1-3H3
- InChI Key
- ZPQCBSMKYCKPLM-UHFFFAOYSA-N
- Formula
- C21H24O6
- SMILES
-
CCCCCOC(=O)c1cccc(C(=O)Oc2c(OC
)cccc2OC)c1 - Molecular Weight1
- 372.41
- 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° | -355.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -792.16 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.01 | kJ/mol | Joback Calculated Property |
| log10WS | -5.72 | Crippen Calculated Property | |
| logPoct/wat | 4.270 | Crippen Calculated Property | |
| McVol | 285.850 | ml/mol | McGowan Calculated Property |
| Pc | 1527.07 | kPa | Joback Calculated Property |
| Inp | [2952.00; 2952.00] |
|
|
| Inp | 2952.00 | NIST | |
| Inp | 2952.00 | NIST | |
| Tboil | 945.60 | K | Joback Calculated Property |
| Tc | 1169.94 | K | Joback Calculated Property |
| Tfus | 605.61 | K | Joback Calculated Property |
| Vc | 1.079 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [891.16; 941.44] | J/mol×K | [945.60; 1169.94] |
|
| Cp,gas | 891.16 | J/mol×K | 945.60 | Joback Calculated Property |
| Cp,gas | 903.51 | J/mol×K | 982.99 | Joback Calculated Property |
| Cp,gas | 914.28 | J/mol×K | 1020.38 | Joback Calculated Property |
| Cp,gas | 923.46 | J/mol×K | 1057.77 | Joback Calculated Property |
| Cp,gas | 931.06 | J/mol×K | 1095.16 | Joback Calculated Property |
| Cp,gas | 937.05 | J/mol×K | 1132.55 | Joback Calculated Property |
| Cp,gas | 941.44 | J/mol×K | 1169.94 | Joback Calculated Property |
| η | [0.0000284; 0.0001879] | Pa×s | [605.61; 945.60] |
|
| η | 0.0001879 | Pa×s | 605.61 | Joback Calculated Property |
| η | 0.0001199 | Pa×s | 662.28 | Joback Calculated Property |
| η | 0.0000821 | Pa×s | 718.94 | Joback Calculated Property |
| η | 0.0000594 | Pa×s | 775.61 | Joback Calculated Property |
| η | 0.0000449 | Pa×s | 832.27 | Joback Calculated Property |
| η | 0.0000352 | Pa×s | 888.93 | Joback Calculated Property |
| η | 0.0000284 | Pa×s | 945.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 2,6-dimethoxyphenyl pentyl ester.
Sources
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