- InChI
- InChI=1S/C19H28O4/c1-4-6-8-10-15(3)23-19(21)17-12-9-11-16(14-17)18(20)22-13-7-5-2/h9,11-12,14-15H,4-8,10,13H2,1-3H3
- InChI Key
- ILRGMDONVIOSJD-UHFFFAOYSA-N
- Formula
- C19H28O4
- SMILES
-
CCCCCC(C)OC(=O)c1cccc(C(=O)OCC
CC)c1 - Molecular Weight1
- 320.42
- Other Names
-
- Isophthalic acid, butyl hex-3-yl ester
- 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 | 0.9272 | Relay (1.0) Calculated Property | |
| ΔfG° | -258.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -836.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.38 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.11 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.24 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.769 | Crippen Calculated Property | |
| McVol | 269.690 | ml/mol | McGowan Calculated Property |
| Pc | 1450.14 | kPa | Joback Calculated Property |
| Inp | 2240.00 | NIST | |
| Tboil | 620.01 | K | Relay (1.0) Calculated Property |
| Tc | 816.73 | K | Relay (1.0) Calculated Property |
| Tfus | 263.92 | K | Relay (1.0) Calculated Property |
| Vc | 1.010 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [819.59; 899.64] | J/mol×K | [817.92; 1019.49] | 
|
| Cp,gas | 819.59 | J/mol×K | 817.92 | Joback Calculated Property |
| Cp,gas | 835.66 | J/mol×K | 851.51 | Joback Calculated Property |
| Cp,gas | 850.61 | J/mol×K | 885.11 | Joback Calculated Property |
| Cp,gas | 864.46 | J/mol×K | 918.70 | Joback Calculated Property |
| Cp,gas | 877.24 | J/mol×K | 952.30 | Joback Calculated Property |
| Cp,gas | 888.96 | J/mol×K | 985.89 | Joback Calculated Property |
| Cp,gas | 899.64 | J/mol×K | 1019.49 | Joback Calculated Property |
| η | [0.0000577; 0.0007448] | Pa×s | [472.15; 817.92] |
|
| η | 0.0007448 | Pa×s | 472.15 | Joback Calculated Property |
| η | 0.0003857 | Pa×s | 529.78 | Joback Calculated Property |
| η | 0.0002273 | Pa×s | 587.41 | Joback Calculated Property |
| η | 0.0001472 | Pa×s | 645.03 | Joback Calculated Property |
| η | 0.0001024 | Pa×s | 702.66 | Joback Calculated Property |
| η | 0.0000752 | Pa×s | 760.29 | Joback Calculated Property |
| η | 0.0000577 | Pa×s | 817.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, butyl 2-heptyl ester.
Sources
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