- InChI
- InChI=1S/C20H22O5/c1-3-4-5-13-24-19(21)15-9-11-16(12-10-15)20(22)25-18-8-6-7-17(14-18)23-2/h6-12,14H,3-5,13H2,1-2H3
- InChI Key
- GJNQAUDUKXVGRR-UHFFFAOYSA-N
- Formula
- C20H22O5
- SMILES
-
CCCCCOC(=O)c1ccc(C(=O)Oc2cccc(
OC)c2)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 | 0.9814 | Relay (1.0) Calculated Property | |
| ΔfG° | -249.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -724.19 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.34 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.49 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.261 | Crippen Calculated Property | |
| McVol | 265.890 | ml/mol | McGowan Calculated Property |
| Pc | 1692.12 | kPa | Joback Calculated Property |
| Inp | [2985.00; 2985.00] |
|
|
| Inp | 2985.00 | NIST | |
| Inp | 2985.00 | NIST | |
| Tboil | 673.33 | K | Relay (1.0) Calculated Property |
| Tc | 910.82 | K | Relay (1.0) Calculated Property |
| Tfus | 322.65 | K | Relay (1.0) Calculated Property |
| Vc | 0.981 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [807.52; 867.35] | J/mol×K | [895.32; 1119.10] |
|
| Cp,gas | 807.52 | J/mol×K | 895.32 | Joback Calculated Property |
| Cp,gas | 820.89 | J/mol×K | 932.62 | Joback Calculated Property |
| Cp,gas | 832.88 | J/mol×K | 969.91 | Joback Calculated Property |
| Cp,gas | 843.50 | J/mol×K | 1007.21 | Joback Calculated Property |
| Cp,gas | 852.78 | J/mol×K | 1044.51 | Joback Calculated Property |
| Cp,gas | 860.72 | J/mol×K | 1081.80 | Joback Calculated Property |
| Cp,gas | 867.35 | J/mol×K | 1119.10 | Joback Calculated Property |
| η | [0.0000429; 0.0003238] | Pa×s | [559.59; 895.32] |
|
| η | 0.0003238 | Pa×s | 559.59 | Joback Calculated Property |
| η | 0.0001984 | Pa×s | 615.55 | Joback Calculated Property |
| η | 0.0001319 | Pa×s | 671.50 | Joback Calculated Property |
| η | 0.0000933 | Pa×s | 727.45 | Joback Calculated Property |
| η | 0.0000694 | Pa×s | 783.41 | Joback Calculated Property |
| η | 0.0000537 | Pa×s | 839.37 | Joback Calculated Property |
| η | 0.0000429 | Pa×s | 895.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Terephthalic acid, 3-methoxyphenyl pentyl ester.
Sources
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