- InChI
- InChI=1S/C18H26O4/c1-4-6-7-11-21-17(19)15-9-8-10-16(12-15)18(20)22-13-14(3)5-2/h8-10,12,14H,4-7,11,13H2,1-3H3
- InChI Key
- FFIHZVQVEBSFEP-UHFFFAOYSA-N
- Formula
- C18H26O4
- SMILES
-
CCCCCOC(=O)c1cccc(C(=O)OCC(C)C
C)c1 - Molecular Weight1
- 306.40
- 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 | 0.8928 | Relay (1.0) Calculated Property | |
| ΔfG° | -266.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -821.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.15 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.28 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.237 | Crippen Calculated Property | |
| McVol | 255.600 | ml/mol | McGowan Calculated Property |
| Pc | 1562.28 | kPa | Joback Calculated Property |
| Inp | [2301.00; 2301.00] |
|
|
| Inp | 2301.00 | NIST | |
| Inp | 2301.00 | NIST | |
| Tboil | 622.89 | K | Relay (1.0) Calculated Property |
| Tc | 816.42 | K | Relay (1.0) Calculated Property |
| Tfus | 258.32 | K | Relay (1.0) Calculated Property |
| Vc | 0.946 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [761.78; 841.10] | J/mol×K | [795.04; 997.07] |
|
| Cp,gas | 761.78 | J/mol×K | 795.04 | Joback Calculated Property |
| Cp,gas | 777.64 | J/mol×K | 828.71 | Joback Calculated Property |
| Cp,gas | 792.42 | J/mol×K | 862.38 | Joback Calculated Property |
| Cp,gas | 806.14 | J/mol×K | 896.06 | Joback Calculated Property |
| Cp,gas | 818.82 | J/mol×K | 929.73 | Joback Calculated Property |
| Cp,gas | 830.46 | J/mol×K | 963.40 | Joback Calculated Property |
| Cp,gas | 841.10 | J/mol×K | 997.07 | Joback Calculated Property |
| η | [0.0000662; 0.0008214] | Pa×s | [460.88; 795.04] |
|
| η | 0.0008214 | Pa×s | 460.88 | Joback Calculated Property |
| η | 0.0004305 | Pa×s | 516.57 | Joback Calculated Property |
| η | 0.0002558 | Pa×s | 572.27 | Joback Calculated Property |
| η | 0.0001668 | Pa×s | 627.96 | Joback Calculated Property |
| η | 0.0001165 | Pa×s | 683.65 | Joback Calculated Property |
| η | 0.0000860 | Pa×s | 739.35 | Joback Calculated Property |
| η | 0.0000662 | Pa×s | 795.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 2-methylbutyl pentyl ester.
Sources
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