- InChI
- InChI=1S/C21H24O5/c1-14(2)13-24-20(22)16-8-7-9-17(12-16)21(23)26-19-11-6-5-10-18(19)25-15(3)4/h5-12,14-15H,13H2,1-4H3
- InChI Key
- XFSDQVDGYUQIHZ-UHFFFAOYSA-N
- Formula
- C21H24O5
- SMILES
-
CC(C)COC(=O)c1cccc(C(=O)Oc2ccc
cc2OC(C)C)c1 - Molecular Weight1
- 356.41
- 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° | -246.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -659.03 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.16 | kJ/mol | Joback Calculated Property |
| log10WS | -5.88 | Crippen Calculated Property | |
| logPoct/wat | 4.506 | Crippen Calculated Property | |
| McVol | 279.980 | ml/mol | McGowan Calculated Property |
| Pc | 1586.01 | kPa | Joback Calculated Property |
| Inp | [2636.00; 2636.00] |
|
|
| Inp | 2636.00 | NIST | |
| Inp | 2636.00 | NIST | |
| Tboil | 917.32 | K | Joback Calculated Property |
| Tc | 1145.03 | K | Joback Calculated Property |
| Tfus | 540.86 | K | Joback Calculated Property |
| Vc | 1.050 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [866.56; 925.89] | J/mol×K | [917.32; 1145.03] |
|
| Cp,gas | 866.56 | J/mol×K | 917.32 | Joback Calculated Property |
| Cp,gas | 880.14 | J/mol×K | 955.27 | Joback Calculated Property |
| Cp,gas | 892.22 | J/mol×K | 993.22 | Joback Calculated Property |
| Cp,gas | 902.82 | J/mol×K | 1031.18 | Joback Calculated Property |
| Cp,gas | 911.95 | J/mol×K | 1069.13 | Joback Calculated Property |
| Cp,gas | 919.64 | J/mol×K | 1107.08 | Joback Calculated Property |
| Cp,gas | 925.89 | J/mol×K | 1145.03 | Joback Calculated Property |
| η | [0.0000311; 0.0003486] | Pa×s | [540.86; 917.32] |
|
| η | 0.0003486 | Pa×s | 540.86 | Joback Calculated Property |
| η | 0.0001890 | Pa×s | 603.60 | Joback Calculated Property |
| η | 0.0001150 | Pa×s | 666.35 | Joback Calculated Property |
| η | 0.0000762 | Pa×s | 729.09 | Joback Calculated Property |
| η | 0.0000539 | Pa×s | 791.83 | Joback Calculated Property |
| η | 0.0000401 | Pa×s | 854.58 | Joback Calculated Property |
| η | 0.0000311 | Pa×s | 917.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, isobutyl 2-isopropoxyphenyl ester.
Sources
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