- InChI
- InChI=1S/C21H24O4/c1-4-5-13-24-20(22)16-9-8-10-17(14-16)21(23)25-19-12-7-6-11-18(19)15(2)3/h6-12,14-15H,4-5,13H2,1-3H3
- InChI Key
- LOJIHKYRNGOMLE-UHFFFAOYSA-N
- Formula
- C21H24O4
- SMILES
-
CCCCOC(=O)c1cccc(C(=O)Oc2ccccc
2C(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 | 0.9072 | Relay (1.0) Calculated Property | |
| ΔfG° | -138.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -628.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.44 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.48 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.55 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.986 | Crippen Calculated Property | |
| McVol | 274.110 | ml/mol | McGowan Calculated Property |
| Pc | 1597.44 | kPa | Joback Calculated Property |
| Inp | [2611.00; 2611.00] |
|
|
| Inp | 2611.00 | NIST | |
| Inp | 2611.00 | NIST | |
| Tboil | 650.90 | K | Relay (1.0) Calculated Property |
| Tc | 902.93 | K | Relay (1.0) Calculated Property |
| Tfus | 310.10 | K | Relay (1.0) Calculated Property |
| Vc | 1.003 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [838.74; 904.93] | J/mol×K | [895.34; 1121.05] |
|
| Cp,gas | 838.74 | J/mol×K | 895.34 | Joback Calculated Property |
| Cp,gas | 853.04 | J/mol×K | 932.96 | Joback Calculated Property |
| Cp,gas | 865.98 | J/mol×K | 970.58 | Joback Calculated Property |
| Cp,gas | 877.61 | J/mol×K | 1008.19 | Joback Calculated Property |
| Cp,gas | 887.95 | J/mol×K | 1045.81 | Joback Calculated Property |
| Cp,gas | 897.05 | J/mol×K | 1083.43 | Joback Calculated Property |
| Cp,gas | 904.93 | J/mol×K | 1121.05 | Joback Calculated Property |
| η | [0.0000455; 0.0004495] | Pa×s | [533.63; 895.34] |
|
| η | 0.0004495 | Pa×s | 533.63 | Joback Calculated Property |
| η | 0.0002528 | Pa×s | 593.91 | Joback Calculated Property |
| η | 0.0001581 | Pa×s | 654.20 | Joback Calculated Property |
| η | 0.0001070 | Pa×s | 714.49 | Joback Calculated Property |
| η | 0.0000769 | Pa×s | 774.77 | Joback Calculated Property |
| η | 0.0000580 | Pa×s | 835.06 | Joback Calculated Property |
| η | 0.0000455 | Pa×s | 895.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, butyl 2-isopropylphenyl ester.
Sources
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