- InChI
- InChI=1S/C18H26O4/c1-5-14(4)9-10-21-17(19)15-7-6-8-16(11-15)18(20)22-12-13(2)3/h6-8,11,13-14H,5,9-10,12H2,1-4H3
- InChI Key
- XMZJOEFWSIHUMF-UHFFFAOYSA-N
- Formula
- C18H26O4
- SMILES
-
CCC(C)CCOC(=O)c1cccc(C(=O)OCC(
C)C)c1 - Molecular Weight1
- 306.40
- 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° | -269.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -689.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.14 | kJ/mol | Joback Calculated Property |
| log10WS | -4.82 | Crippen Calculated Property | |
| logPoct/wat | 4.092 | Crippen Calculated Property | |
| McVol | 255.600 | ml/mol | McGowan Calculated Property |
| Pc | 1572.21 | kPa | Joback Calculated Property |
| Inp | [2174.00; 2174.00] |
|
|
| Inp | 2174.00 | NIST | |
| Inp | 2174.00 | NIST | |
| Tboil | 794.60 | K | Joback Calculated Property |
| Tc | 999.14 | K | Joback Calculated Property |
| Tfus | 445.88 | K | Joback Calculated Property |
| Vc | 0.972 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [762.32; 842.26] | J/mol×K | [794.60; 999.14] |
|
| Cp,gas | 762.32 | J/mol×K | 794.60 | Joback Calculated Property |
| Cp,gas | 778.37 | J/mol×K | 828.69 | Joback Calculated Property |
| Cp,gas | 793.31 | J/mol×K | 862.78 | Joback Calculated Property |
| Cp,gas | 807.15 | J/mol×K | 896.87 | Joback Calculated Property |
| Cp,gas | 819.91 | J/mol×K | 930.96 | Joback Calculated Property |
| Cp,gas | 831.61 | J/mol×K | 965.05 | Joback Calculated Property |
| Cp,gas | 842.26 | J/mol×K | 999.14 | Joback Calculated Property |
| η | [0.0000608; 0.0009566] | Pa×s | [445.88; 794.60] |
|
| η | 0.0009566 | Pa×s | 445.88 | Joback Calculated Property |
| η | 0.0004637 | Pa×s | 504.00 | Joback Calculated Property |
| η | 0.0002611 | Pa×s | 562.12 | Joback Calculated Property |
| η | 0.0001637 | Pa×s | 620.24 | Joback Calculated Property |
| η | 0.0001112 | Pa×s | 678.36 | Joback Calculated Property |
| η | 0.0000803 | Pa×s | 736.48 | Joback Calculated Property |
| η | 0.0000608 | Pa×s | 794.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, isobutyl 3-methylpentyl ester.
Sources
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