- InChI
- InChI=1S/C18H26O4/c1-5-6-7-11-21-16(19)14-9-8-10-15(12-14)17(20)22-13-18(2,3)4/h8-10,12H,5-7,11,13H2,1-4H3
- InChI Key
- ANFABKSQZPSEOC-UHFFFAOYSA-N
- Formula
- C18H26O4
- SMILES
-
CCCCCOC(=O)c1cccc(C(=O)OCC(C)(
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° | -261.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -688.14 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.62 | kJ/mol | Joback Calculated Property |
| log10WS | -5.06 | Crippen Calculated Property | |
| logPoct/wat | 4.237 | Crippen Calculated Property | |
| McVol | 255.600 | ml/mol | McGowan Calculated Property |
| Pc | 1575.95 | kPa | Joback Calculated Property |
| Inp | [2202.00; 2202.00] |
|
|
| Inp | 2202.00 | NIST | |
| Inp | 2202.00 | NIST | |
| Tboil | 792.25 | K | Joback Calculated Property |
| Tc | 998.90 | K | Joback Calculated Property |
| Tfus | 478.30 | K | Joback Calculated Property |
| Vc | 0.973 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [762.82; 842.58] | J/mol×K | [792.25; 998.90] |
|
| Cp,gas | 762.82 | J/mol×K | 792.25 | Joback Calculated Property |
| Cp,gas | 778.75 | J/mol×K | 826.69 | Joback Calculated Property |
| Cp,gas | 793.58 | J/mol×K | 861.13 | Joback Calculated Property |
| Cp,gas | 807.34 | J/mol×K | 895.58 | Joback Calculated Property |
| Cp,gas | 820.07 | J/mol×K | 930.02 | Joback Calculated Property |
| Cp,gas | 831.80 | J/mol×K | 964.46 | Joback Calculated Property |
| Cp,gas | 842.58 | J/mol×K | 998.90 | Joback Calculated Property |
| η | [0.0000580; 0.0006763] | Pa×s | [478.30; 792.25] |
|
| η | 0.0006763 | Pa×s | 478.30 | Joback Calculated Property |
| η | 0.0003670 | Pa×s | 530.62 | Joback Calculated Property |
| η | 0.0002223 | Pa×s | 582.95 | Joback Calculated Property |
| η | 0.0001462 | Pa×s | 635.27 | Joback Calculated Property |
| η | 0.0001025 | Pa×s | 687.60 | Joback Calculated Property |
| η | 0.0000756 | Pa×s | 739.92 | Joback Calculated Property |
| η | 0.0000580 | Pa×s | 792.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, neopentyl pentyl ester.
Sources
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