- InChI
- InChI=1S/C15H20O4/c1-5-18-13(16)11-7-6-8-12(9-11)14(17)19-10-15(2,3)4/h6-9H,5,10H2,1-4H3
- InChI Key
- YTOQMVHIFHQPNH-UHFFFAOYSA-N
- Formula
- C15H20O4
- SMILES
-
CCOC(=O)c1cccc(C(=O)OCC(C)(C)C
)c1 - Molecular Weight1
- 264.32
- 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° | -286.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -626.22 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.94 | kJ/mol | Joback Calculated Property |
| log10WS | -3.81 | Crippen Calculated Property | |
| logPoct/wat | 3.066 | Crippen Calculated Property | |
| McVol | 213.330 | ml/mol | McGowan Calculated Property |
| Pc | 2009.10 | kPa | Joback Calculated Property |
| Inp | [1892.00; 1892.00] |
|
|
| Inp | 1892.00 | NIST | |
| Inp | 1892.00 | NIST | |
| Tboil | 723.61 | K | Joback Calculated Property |
| Tc | 936.77 | K | Joback Calculated Property |
| Tfus | 444.49 | K | Joback Calculated Property |
| Vc | 0.804 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [596.05; 672.06] | J/mol×K | [723.61; 936.77] |
|
| Cp,gas | 596.05 | J/mol×K | 723.61 | Joback Calculated Property |
| Cp,gas | 611.23 | J/mol×K | 759.14 | Joback Calculated Property |
| Cp,gas | 625.36 | J/mol×K | 794.66 | Joback Calculated Property |
| Cp,gas | 638.48 | J/mol×K | 830.19 | Joback Calculated Property |
| Cp,gas | 650.62 | J/mol×K | 865.72 | Joback Calculated Property |
| Cp,gas | 661.80 | J/mol×K | 901.24 | Joback Calculated Property |
| Cp,gas | 672.06 | J/mol×K | 936.77 | Joback Calculated Property |
| η | [0.0000877; 0.0008994] | Pa×s | [444.49; 723.61] |
|
| η | 0.0008994 | Pa×s | 444.49 | Joback Calculated Property |
| η | 0.0005078 | Pa×s | 491.01 | Joback Calculated Property |
| η | 0.0003165 | Pa×s | 537.53 | Joback Calculated Property |
| η | 0.0002127 | Pa×s | 584.05 | Joback Calculated Property |
| η | 0.0001516 | Pa×s | 630.57 | Joback Calculated Property |
| η | 0.0001132 | Pa×s | 677.09 | Joback Calculated Property |
| η | 0.0000877 | Pa×s | 723.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, ethyl neopentyl ester.
Sources
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