- InChI
- InChI=1S/C17H24O4/c1-12(2)10-20-15(18)13-7-6-8-14(9-13)16(19)21-11-17(3,4)5/h6-9,12H,10-11H2,1-5H3
- InChI Key
- BDHFEBLVTOXLIJ-UHFFFAOYSA-N
- Formula
- C17H24O4
- SMILES
-
CC(C)COC(=O)c1cccc(C(=O)OCC(C)
(C)C)c1 - Molecular Weight1
- 292.37
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -272.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -672.78 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.00 | kJ/mol | Joback Calculated Property |
| log10WS | -4.40 | Crippen Calculated Property | |
| logPoct/wat | 3.702 | Crippen Calculated Property | |
| McVol | 241.510 | ml/mol | McGowan Calculated Property |
| Pc | 1714.61 | kPa | Joback Calculated Property |
| Inp | [2053.00; 2053.00] |
|
|
| Inp | 2053.00 | NIST | |
| Inp | 2053.00 | NIST | |
| Tboil | 768.93 | K | Joback Calculated Property |
| Tc | 980.32 | K | Joback Calculated Property |
| Tfus | 452.03 | K | Joback Calculated Property |
| Vc | 0.910 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [706.75; 786.30] | J/mol×K | [768.93; 980.32] |
|
| Cp,gas | 706.75 | J/mol×K | 768.93 | Joback Calculated Property |
| Cp,gas | 722.71 | J/mol×K | 804.16 | Joback Calculated Property |
| Cp,gas | 737.54 | J/mol×K | 839.39 | Joback Calculated Property |
| Cp,gas | 751.28 | J/mol×K | 874.62 | Joback Calculated Property |
| Cp,gas | 763.96 | J/mol×K | 909.85 | Joback Calculated Property |
| Cp,gas | 775.62 | J/mol×K | 945.08 | Joback Calculated Property |
| Cp,gas | 786.30 | J/mol×K | 980.32 | Joback Calculated Property |
| η | [0.0000615; 0.0008716] | Pa×s | [452.03; 768.93] |
|
| η | 0.0008716 | Pa×s | 452.03 | Joback Calculated Property |
| η | 0.0004446 | Pa×s | 504.85 | Joback Calculated Property |
| η | 0.0002576 | Pa×s | 557.66 | Joback Calculated Property |
| η | 0.0001641 | Pa×s | 610.48 | Joback Calculated Property |
| η | 0.0001123 | Pa×s | 663.30 | Joback Calculated Property |
| η | 0.0000813 | Pa×s | 716.11 | Joback Calculated Property |
| η | 0.0000615 | Pa×s | 768.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, isobutyl neopentyl ester.
Sources
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