- InChI
- InChI=1S/C18H26O4/c1-3-5-7-8-13-22-18(20)16-11-9-10-15(14-16)17(19)21-12-6-4-2/h9-11,14H,3-8,12-13H2,1-2H3
- InChI Key
- CZVFCXRQARVUNY-UHFFFAOYSA-N
- Formula
- C18H26O4
- SMILES
-
CCCCCCOC(=O)c1cccc(C(=O)OCCCC)
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 | 0.9440 | Relay (1.0) Calculated Property | |
| ΔfG° | -264.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -800.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.18 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.381 | Crippen Calculated Property | |
| McVol | 255.600 | ml/mol | McGowan Calculated Property |
| Pc | 1552.45 | kPa | Joback Calculated Property |
| Inp | [2334.00; 2334.00] |
|
|
| Inp | 2334.00 | NIST | |
| Inp | 2334.00 | NIST | |
| Tboil | 621.73 | K | Relay (1.0) Calculated Property |
| Tc | 818.44 | K | Relay (1.0) Calculated Property |
| Tfus | 270.24 | K | Relay (1.0) Calculated Property |
| Vc | 0.969 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [761.25; 839.97] | J/mol×K | [795.48; 995.15] |
|
| Cp,gas | 761.25 | J/mol×K | 795.48 | Joback Calculated Property |
| Cp,gas | 776.92 | J/mol×K | 828.76 | Joback Calculated Property |
| Cp,gas | 791.55 | J/mol×K | 862.04 | Joback Calculated Property |
| Cp,gas | 805.16 | J/mol×K | 895.32 | Joback Calculated Property |
| Cp,gas | 817.75 | J/mol×K | 928.59 | Joback Calculated Property |
| Cp,gas | 829.35 | J/mol×K | 961.87 | Joback Calculated Property |
| Cp,gas | 839.97 | J/mol×K | 995.15 | Joback Calculated Property |
| η | [0.0000720; 0.0007181] | Pa×s | [475.88; 795.48] |
|
| η | 0.0007181 | Pa×s | 475.88 | Joback Calculated Property |
| η | 0.0004036 | Pa×s | 529.15 | Joback Calculated Property |
| η | 0.0002520 | Pa×s | 582.41 | Joback Calculated Property |
| η | 0.0001703 | Pa×s | 635.68 | Joback Calculated Property |
| η | 0.0001223 | Pa×s | 688.95 | Joback Calculated Property |
| η | 0.0000921 | Pa×s | 742.21 | Joback Calculated Property |
| η | 0.0000720 | Pa×s | 795.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, butyl hexyl ester.
Sources
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