- InChI
- InChI=1S/C17H24O4/c1-4-5-6-7-11-20-16(18)14-9-8-10-15(12-14)17(19)21-13(2)3/h8-10,12-13H,4-7,11H2,1-3H3
- InChI Key
- RRTRSKQCBAMBEU-UHFFFAOYSA-N
- Formula
- C17H24O4
- SMILES
-
CCCCCCOC(=O)c1cccc(C(=O)OC(C)C
)c1 - Molecular Weight1
- 292.37
- 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 | 0.8572 | Relay (1.0) Calculated Property | |
| ΔfG° | -275.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -793.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.59 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.16 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.84 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.989 | Crippen Calculated Property | |
| McVol | 241.510 | ml/mol | McGowan Calculated Property |
| Pc | 1687.95 | kPa | Joback Calculated Property |
| Inp | [2146.00; 2146.00] |
|
|
| Inp | 2146.00 | NIST | |
| Inp | 2146.00 | NIST | |
| Tboil | 601.10 | K | Relay (1.0) Calculated Property |
| Tc | 794.90 | K | Relay (1.0) Calculated Property |
| Tfus | 277.28 | K | Relay (1.0) Calculated Property |
| Vc | 0.913 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [704.89; 783.29] | J/mol×K | [772.16; 975.26] |
|
| Cp,gas | 704.89 | J/mol×K | 772.16 | Joback Calculated Property |
| Cp,gas | 720.52 | J/mol×K | 806.01 | Joback Calculated Property |
| Cp,gas | 735.10 | J/mol×K | 839.86 | Joback Calculated Property |
| Cp,gas | 748.65 | J/mol×K | 873.71 | Joback Calculated Property |
| Cp,gas | 761.19 | J/mol×K | 907.56 | Joback Calculated Property |
| Cp,gas | 772.73 | J/mol×K | 941.41 | Joback Calculated Property |
| Cp,gas | 783.29 | J/mol×K | 975.26 | Joback Calculated Property |
| η | [0.0000756; 0.0009014] | Pa×s | [449.61; 772.16] |
|
| η | 0.0009014 | Pa×s | 449.61 | Joback Calculated Property |
| η | 0.0004783 | Pa×s | 503.37 | Joback Calculated Property |
| η | 0.0002868 | Pa×s | 557.13 | Joback Calculated Property |
| η | 0.0001882 | Pa×s | 610.88 | Joback Calculated Property |
| η | 0.0001322 | Pa×s | 664.64 | Joback Calculated Property |
| η | 0.0000979 | Pa×s | 718.40 | Joback Calculated Property |
| η | 0.0000756 | Pa×s | 772.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, hexyl isopropyl ester.
Sources
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