- InChI
- InChI=1S/C21H24O4/c1-14(2)13-24-20(22)16-8-7-9-17(12-16)21(23)25-19-11-6-5-10-18(19)15(3)4/h5-12,14-15H,13H2,1-4H3
- InChI Key
- YOOBMPVRGKBBTK-UHFFFAOYSA-N
- Formula
- C21H24O4
- SMILES
-
CC(C)COC(=O)c1cccc(C(=O)Oc2ccc
cc2C(C)C)c1 - Molecular Weight1
- 340.41
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.8741 | Relay (... Calculated Property | |
| ΔfG° | -141.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -643.18 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 35.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.60 | kJ/mol | Relay (... Calculated Property |
| IE | 8.56 | eV | Relay (... Calculated Property |
| log10WS | -5.52 | Relay (... Calculated Property | |
| logPoct/wat | 4.842 | Crippen Calculated Property | |
| McVol | 274.110 | ml/mol | McGowan Calculated Property |
| Pc | 1607.71 | kPa | Joback Calculated Property |
| Inp | 2559.00 | NIST | |
| Tboil | 652.04 | K | Relay (... Calculated Property |
| Tc | 903.75 | K | Relay (... Calculated Property |
| Tfus | 333.72 | K | Relay (... Calculated Property |
| Vc | 1.003 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [839.26; 905.60] | J/mol×K | [894.90; 1123.34] | 
|
| Cp,gas | 839.26 | J/mol×K | 894.90 | Joback Calculated Property |
| Cp,gas | 853.69 | J/mol×K | 932.97 | Joback Calculated Property |
| Cp,gas | 866.72 | J/mol×K | 971.05 | Joback Calculated Property |
| Cp,gas | 878.39 | J/mol×K | 1009.12 | Joback Calculated Property |
| Cp,gas | 888.74 | J/mol×K | 1047.19 | Joback Calculated Property |
| Cp,gas | 897.79 | J/mol×K | 1085.27 | Joback Calculated Property |
| Cp,gas | 905.60 | J/mol×K | 1123.34 | Joback Calculated Property |
| η | [0.0000415; 0.0004983] | Pa×s | [518.63; 894.90] |
|
| η | 0.0004983 | Pa×s | 518.63 | Joback Calculated Property |
| η | 0.0002634 | Pa×s | 581.34 | Joback Calculated Property |
| η | 0.0001577 | Pa×s | 644.05 | Joback Calculated Property |
| η | 0.0001034 | Pa×s | 706.76 | Joback Calculated Property |
| η | 0.0000726 | Pa×s | 769.48 | Joback Calculated Property |
| η | 0.0000538 | Pa×s | 832.19 | Joback Calculated Property |
| η | 0.0000415 | Pa×s | 894.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, isobutyl 2-isopropylphenyl ester.
Sources
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