- InChI
- InChI=1S/C20H22O5/c1-15(2)14-25-20(22)17-10-8-16(9-11-17)19(21)24-13-12-23-18-6-4-3-5-7-18/h3-11,15H,12-14H2,1-2H3
- InChI Key
- VOEUMMADTBFQPI-UHFFFAOYSA-N
- Formula
- C20H22O5
- SMILES
-
CC(C)COC(=O)c1ccc(C(=O)OCCOc2c
cccc2)cc1 - Molecular Weight1
- 342.39
- 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° | -242.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -621.64 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.66 | kJ/mol | Joback Calculated Property |
| log10WS | -4.74 | Crippen Calculated Property | |
| logPoct/wat | 3.735 | Crippen Calculated Property | |
| McVol | 265.890 | ml/mol | McGowan Calculated Property |
| Pc | 1724.59 | kPa | Joback Calculated Property |
| Inp | [2730.00; 2730.00] |
|
|
| Inp | 2730.00 | NIST | |
| Inp | 2730.00 | NIST | |
| Tboil | 889.90 | K | Joback Calculated Property |
| Tc | 1115.53 | K | Joback Calculated Property |
| Tfus | 532.07 | K | Joback Calculated Property |
| Vc | 1.000 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [809.26; 870.21] | J/mol×K | [889.90; 1115.53] |
|
| Cp,gas | 809.26 | J/mol×K | 889.90 | Joback Calculated Property |
| Cp,gas | 822.86 | J/mol×K | 927.51 | Joback Calculated Property |
| Cp,gas | 835.06 | J/mol×K | 965.11 | Joback Calculated Property |
| Cp,gas | 845.87 | J/mol×K | 1002.72 | Joback Calculated Property |
| Cp,gas | 855.32 | J/mol×K | 1040.32 | Joback Calculated Property |
| Cp,gas | 863.42 | J/mol×K | 1077.93 | Joback Calculated Property |
| Cp,gas | 870.21 | J/mol×K | 1115.53 | Joback Calculated Property |
| η | [0.0000385; 0.0004028] | Pa×s | [532.07; 889.90] |
|
| η | 0.0004028 | Pa×s | 532.07 | Joback Calculated Property |
| η | 0.0002237 | Pa×s | 591.71 | Joback Calculated Property |
| η | 0.0001383 | Pa×s | 651.35 | Joback Calculated Property |
| η | 0.0000927 | Pa×s | 710.99 | Joback Calculated Property |
| η | 0.0000661 | Pa×s | 770.62 | Joback Calculated Property |
| η | 0.0000495 | Pa×s | 830.26 | Joback Calculated Property |
| η | 0.0000385 | Pa×s | 889.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Terephthalic acid, isobutyl 2-phenoxyethyl ester.
Sources
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