![1,4-Benzenedicarboxylic acid, [4-(methoxycarbonyl)phenyl]methyl methyl ester](/cid/88-883-5/1-4-Benzenedicarboxylic-acid-4-methoxycarbonyl-phenyl-methyl-methyl-ester.png "1,4-Benzenedicarboxylic acid, [4-(methoxycarbonyl)phenyl]methyl methyl ester")
- InChI
- InChI=1S/C18H16O6/c1-22-16(19)13-5-3-12(4-6-13)11-24-18(21)15-9-7-14(8-10-15)17(20)23-2/h3-10H,11H2,1-2H3
- InChI Key
- ITTJRGPCQAAFGL-UHFFFAOYSA-N
- Formula
- C18H16O6
- SMILES
-
COC(=O)c1ccc(COC(=O)c2ccc(C(=O
)OC)cc2)cc1 - Molecular Weight1
- 328.32
- CAS
- 55334-51-5
- Other Names
-
- Methyl [4-(methoxycarbonyl)phenyl]methyl 1,4-benzenedicarboxylate
- [4-(methoxycarbonyl)phenyl]methyl methyl terephthalate
- 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).
- 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° | -395.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -699.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.01 | kJ/mol | Joback Calculated Property |
| log10WS | -4.31 | Crippen Calculated Property | |
| logPoct/wat | 2.617 | Crippen Calculated Property | |
| McVol | 239.280 | ml/mol | McGowan Calculated Property |
| Pc | 2111.94 | kPa | Joback Calculated Property |
| Tboil | 903.43 | K | Joback Calculated Property |
| Tc | 1136.61 | K | Joback Calculated Property |
| Tfus | 586.98 | K | Joback Calculated Property |
| Vc | 0.899 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [702.63; 747.90] | J/mol×K | [903.43; 1136.61] | 
|
| Cp,gas | 702.63 | J/mol×K | 903.43 | Joback Calculated Property |
| Cp,gas | 713.62 | J/mol×K | 942.29 | Joback Calculated Property |
| Cp,gas | 723.23 | J/mol×K | 981.16 | Joback Calculated Property |
| Cp,gas | 731.46 | J/mol×K | 1020.02 | Joback Calculated Property |
| Cp,gas | 738.31 | J/mol×K | 1058.89 | Joback Calculated Property |
| Cp,gas | 743.79 | J/mol×K | 1097.75 | Joback Calculated Property |
| Cp,gas | 747.90 | J/mol×K | 1136.61 | Joback Calculated Property |
| η | [0.0000545; 0.0003411] | Pa×s | [586.98; 903.43] |
|
| η | 0.0003411 | Pa×s | 586.98 | Joback Calculated Property |
| η | 0.0002215 | Pa×s | 639.72 | Joback Calculated Property |
| η | 0.0001536 | Pa×s | 692.46 | Joback Calculated Property |
| η | 0.0001122 | Pa×s | 745.20 | Joback Calculated Property |
| η | 0.0000854 | Pa×s | 797.95 | Joback Calculated Property |
| η | 0.0000673 | Pa×s | 850.69 | Joback Calculated Property |
| η | 0.0000545 | Pa×s | 903.43 | Joback Calculated Property |
Similar Compounds
Sources
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