- InChI
- InChI=1S/C22H18O6/c1-25-17-5-3-7-19(13-17)27-21(23)15-9-11-16(12-10-15)22(24)28-20-8-4-6-18(14-20)26-2/h3-14H,1-2H3
- InChI Key
- KODPEPBVDZOCQM-UHFFFAOYSA-N
- Formula
- C22H18O6
- SMILES
-
COc1cccc(OC(=O)c2ccc(C(=O)Oc3c
ccc(OC)c3)cc2)c1 - Molecular Weight1
- 378.37
- 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° | -235.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -576.27 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.51 | kJ/mol | Joback Calculated Property |
| log10WS | -5.89 | Crippen Calculated Property | |
| logPoct/wat | 4.142 | Crippen Calculated Property | |
| McVol | 276.180 | ml/mol | McGowan Calculated Property |
| Pc | 1851.52 | kPa | Joback Calculated Property |
| Inp | [2439.00; 2439.00] |
|
|
| Inp | 2439.00 | NIST | |
| Inp | 2439.00 | NIST | |
| Tboil | 995.16 | K | Joback Calculated Property |
| Tc | 1242.86 | K | Joback Calculated Property |
| Tfus | 643.30 | K | Joback Calculated Property |
| Vc | 1.028 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [840.46; 870.11] | J/mol×K | [995.16; 1242.86] |
|
| Cp,gas | 840.46 | J/mol×K | 995.16 | Joback Calculated Property |
| Cp,gas | 849.96 | J/mol×K | 1036.44 | Joback Calculated Property |
| Cp,gas | 857.62 | J/mol×K | 1077.73 | Joback Calculated Property |
| Cp,gas | 863.47 | J/mol×K | 1119.01 | Joback Calculated Property |
| Cp,gas | 867.49 | J/mol×K | 1160.29 | Joback Calculated Property |
| Cp,gas | 869.70 | J/mol×K | 1201.58 | Joback Calculated Property |
| Cp,gas | 870.11 | J/mol×K | 1242.86 | Joback Calculated Property |
| η | [0.0000256; 0.0001575] | Pa×s | [643.30; 995.16] |
|
| η | 0.0001575 | Pa×s | 643.30 | Joback Calculated Property |
| η | 0.0001025 | Pa×s | 701.94 | Joback Calculated Property |
| η | 0.0000713 | Pa×s | 760.59 | Joback Calculated Property |
| η | 0.0000522 | Pa×s | 819.23 | Joback Calculated Property |
| η | 0.0000398 | Pa×s | 877.87 | Joback Calculated Property |
| η | 0.0000315 | Pa×s | 936.52 | Joback Calculated Property |
| η | 0.0000256 | Pa×s | 995.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Terephthalic acid, di(3-methoxyphenyl) ester.
Sources
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