- InChI
- InChI=1S/C20H22O5/c1-2-3-13-24-19(21)16-9-11-17(12-10-16)20(22)25-15-14-23-18-7-5-4-6-8-18/h4-12H,2-3,13-15H2,1H3
- InChI Key
- ANRUEXZRMXQCKQ-UHFFFAOYSA-N
- Formula
- C20H22O5
- SMILES
-
CCCCOC(=O)c1ccc(C(=O)OCCOc2ccc
cc2)cc1 - Molecular Weight1
- 342.39
- 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 | 0.9580 | Relay (1.0) Calculated Property | |
| ΔfG° | -240.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -722.61 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 113.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.62 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.26 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.879 | Crippen Calculated Property | |
| McVol | 265.890 | ml/mol | McGowan Calculated Property |
| Pc | 1713.19 | kPa | Joback Calculated Property |
| Inp | 2842.00 | NIST | |
| Tboil | 676.84 | K | Relay (1.0) Calculated Property |
| Tc | 898.40 | K | Relay (1.0) Calculated Property |
| Tfus | 318.68 | K | Relay (1.0) Calculated Property |
| Vc | 0.989 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [808.72; 869.60] | J/mol×K | [890.34; 1113.35] | 
|
| Cp,gas | 808.72 | J/mol×K | 890.34 | Joback Calculated Property |
| Cp,gas | 822.20 | J/mol×K | 927.51 | Joback Calculated Property |
| Cp,gas | 834.32 | J/mol×K | 964.68 | Joback Calculated Property |
| Cp,gas | 845.10 | J/mol×K | 1001.84 | Joback Calculated Property |
| Cp,gas | 854.56 | J/mol×K | 1039.01 | Joback Calculated Property |
| Cp,gas | 862.71 | J/mol×K | 1076.18 | Joback Calculated Property |
| Cp,gas | 869.60 | J/mol×K | 1113.35 | Joback Calculated Property |
| η | [0.0000421; 0.0003662] | Pa×s | [547.07; 890.34] |
|
| η | 0.0003662 | Pa×s | 547.07 | Joback Calculated Property |
| η | 0.0002154 | Pa×s | 604.28 | Joback Calculated Property |
| η | 0.0001388 | Pa×s | 661.49 | Joback Calculated Property |
| η | 0.0000960 | Pa×s | 718.70 | Joback Calculated Property |
| η | 0.0000701 | Pa×s | 775.92 | Joback Calculated Property |
| η | 0.0000534 | Pa×s | 833.13 | Joback Calculated Property |
| η | 0.0000421 | Pa×s | 890.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Terephthalic acid, butyl 2-phenoxyethyl ester.
Sources
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