- InChI
- InChI=1S/C16H20O4/c1-4-5-10-19-15(17)13-6-8-14(9-7-13)16(18)20-11-12(2)3/h4-9,12H,10-11H2,1-3H3/b5-4+
- InChI Key
- MGGGGDZVIFIYRK-SNAWJCMRSA-N
- Formula
- C16H20O4
- SMILES
-
CC=CCOC(=O)c1ccc(C(=O)OCC(C)C)
cc1 - Molecular Weight1
- 276.33
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.7575 | Relay (1.0) Calculated Property | |
| ΔfG° | -203.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -678.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.11 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.20 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.41 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.232 | Crippen Calculated Property | |
| McVol | 223.120 | ml/mol | McGowan Calculated Property |
| Pc | 1913.58 | kPa | Joback Calculated Property |
| Inp | 2147.00 | NIST | |
| Tboil | 607.29 | K | Relay (1.0) Calculated Property |
| Tc | 795.93 | K | Relay (1.0) Calculated Property |
| Tfus | 300.50 | K | Relay (1.0) Calculated Property |
| Vc | 0.802 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [624.51; 698.98] | J/mol×K | [753.44; 964.70] | 
|
| Cp,gas | 624.51 | J/mol×K | 753.44 | Joback Calculated Property |
| Cp,gas | 639.34 | J/mol×K | 788.65 | Joback Calculated Property |
| Cp,gas | 653.17 | J/mol×K | 823.86 | Joback Calculated Property |
| Cp,gas | 666.02 | J/mol×K | 859.07 | Joback Calculated Property |
| Cp,gas | 677.92 | J/mol×K | 894.28 | Joback Calculated Property |
| Cp,gas | 688.90 | J/mol×K | 929.49 | Joback Calculated Property |
| Cp,gas | 698.98 | J/mol×K | 964.70 | Joback Calculated Property |
| η | [0.0000745; 0.0009089] | Pa×s | [433.26; 753.44] |
|
| η | 0.0009089 | Pa×s | 433.26 | Joback Calculated Property |
| η | 0.0004767 | Pa×s | 486.62 | Joback Calculated Property |
| η | 0.0002840 | Pa×s | 539.99 | Joback Calculated Property |
| η | 0.0001857 | Pa×s | 593.35 | Joback Calculated Property |
| η | 0.0001303 | Pa×s | 646.71 | Joback Calculated Property |
| η | 0.0000965 | Pa×s | 700.08 | Joback Calculated Property |
| η | 0.0000745 | Pa×s | 753.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Terephthalic acid, but-2-enyl isobutyl ester.
Sources
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