- InChI
- InChI=1S/C14H16O6/c1-3-18-12(15)9-20-14(17)11-8-6-5-7-10(11)13(16)19-4-2/h5-8H,3-4,9H2,1-2H3
- InChI Key
- PZBLUWVMZMXIKZ-UHFFFAOYSA-N
- Formula
- C14H16O6
- SMILES
-
CCOC(=O)COC(=O)c1ccccc1C(=O)OC
C - Molecular Weight1
- 280.27
- CAS
- 84-72-0
- Other Names
-
- Phthalic acid, ethyl ester, ester with ethyl glycolate
- Carbethoxymethyl ethyl phthalate
- Diethyl o-carboxybenzoyloxyacetate
- Ethyl carbethoxymethyl phthalate
- Ethyl phthalyl ethyl glycolate
- Santicizer E-15
- Ethoxycarbonylmethyl ethyl phthalate
- 1-(2-Ethoxy-2-oxoethyl) 2-ethyl phthalate
- 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).
- 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 | 0.8210 | Relay (1.0) Calculated Property | |
| ΔfG° | -761.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1001.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.16 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.93 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.583 | Crippen Calculated Property | |
| McVol | 206.680 | ml/mol | McGowan Calculated Property |
| Pc | 2009.10 | kPa | Joback Calculated Property |
| Tboil | 604.44 | K | Relay (1.0) Calculated Property |
| Tc | 805.83 | K | Relay (1.0) Calculated Property |
| Tfus | 280.21 | K | Relay (1.0) Calculated Property |
| Vc | 0.778 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [569.16; 631.91] | J/mol×K | [726.24; 931.10] | 
|
| Cp,gas | 569.16 | J/mol×K | 726.24 | Joback Calculated Property |
| Cp,gas | 582.27 | J/mol×K | 760.38 | Joback Calculated Property |
| Cp,gas | 594.32 | J/mol×K | 794.53 | Joback Calculated Property |
| Cp,gas | 605.32 | J/mol×K | 828.67 | Joback Calculated Property |
| Cp,gas | 615.25 | J/mol×K | 862.81 | Joback Calculated Property |
| Cp,gas | 624.12 | J/mol×K | 896.96 | Joback Calculated Property |
| Cp,gas | 631.91 | J/mol×K | 931.10 | Joback Calculated Property |
| η | [0.0000641; 0.0011596] | Pa×s | [413.47; 726.24] |
|
| η | 0.0011596 | Pa×s | 413.47 | Joback Calculated Property |
| η | 0.0005463 | Pa×s | 465.60 | Joback Calculated Property |
| η | 0.0002994 | Pa×s | 517.73 | Joback Calculated Property |
| η | 0.0001832 | Pa×s | 569.86 | Joback Calculated Property |
| η | 0.0001217 | Pa×s | 621.98 | Joback Calculated Property |
| η | 0.0000862 | Pa×s | 674.11 | Joback Calculated Property |
| η | 0.0000641 | Pa×s | 726.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Benzenedicarboxylic acid, 2-ethoxy-2-oxoethyl ethyl ester.
Sources
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