- InChI
- InChI=1S/C19H28O4/c1-7-16(19(4,5)6)23-18(21)15-10-8-14(9-11-15)17(20)22-12-13(2)3/h8-11,13,16H,7,12H2,1-6H3
- InChI Key
- TXWWGIVPOCTAEF-UHFFFAOYSA-N
- Formula
- C19H28O4
- SMILES
-
CCC(OC(=O)c1ccc(C(=O)OCC(C)C)c
c1)C(C)(C)C - Molecular Weight1
- 320.42
- 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° | -258.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -719.34 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.07 | kJ/mol | Joback Calculated Property |
| log10WS | -5.35 | Crippen Calculated Property | |
| logPoct/wat | 4.481 | Crippen Calculated Property | |
| McVol | 269.690 | ml/mol | McGowan Calculated Property |
| Pc | 1480.43 | kPa | Joback Calculated Property |
| Inp | 2192.00 | NIST | |
| Tboil | 814.25 | K | Joback Calculated Property |
| Tc | 1024.95 | K | Joback Calculated Property |
| Tfus | 459.57 | K | Joback Calculated Property |
| Vc | 1.016 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [821.42; 903.21] | J/mol×K | [814.25; 1024.95] | 
|
| Cp,gas | 821.42 | J/mol×K | 814.25 | Joback Calculated Property |
| Cp,gas | 837.92 | J/mol×K | 849.37 | Joback Calculated Property |
| Cp,gas | 853.22 | J/mol×K | 884.48 | Joback Calculated Property |
| Cp,gas | 867.36 | J/mol×K | 919.60 | Joback Calculated Property |
| Cp,gas | 880.38 | J/mol×K | 954.72 | Joback Calculated Property |
| Cp,gas | 892.31 | J/mol×K | 989.84 | Joback Calculated Property |
| Cp,gas | 903.21 | J/mol×K | 1024.95 | Joback Calculated Property |
| η | [0.0000423; 0.0008259] | Pa×s | [459.57; 814.25] |
|
| η | 0.0008259 | Pa×s | 459.57 | Joback Calculated Property |
| η | 0.0003796 | Pa×s | 518.68 | Joback Calculated Property |
| η | 0.0002046 | Pa×s | 577.80 | Joback Calculated Property |
| η | 0.0001236 | Pa×s | 636.91 | Joback Calculated Property |
| η | 0.0000814 | Pa×s | 696.02 | Joback Calculated Property |
| η | 0.0000572 | Pa×s | 755.14 | Joback Calculated Property |
| η | 0.0000423 | Pa×s | 814.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Terephthalic acid, 4,4-dimethylpent-2-yl isobutyl ester.
Sources
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