- InChI
- InChI=1S/C10H16O4/c1-3-13-8(11)10(6-5-7-10)9(12)14-4-2/h3-7H2,1-2H3
- InChI Key
- JPNJEJSZSMXWSV-UHFFFAOYSA-N
- Formula
- C10H16O4
- SMILES
- CCOC(=O)C1(C(=O)OCC)CCC1
- Molecular Weight1
- 200.23
- Other Names
-
- Cyclobutane-1,1-dicarboxylic acid diethyl ester
- Diethyl cyclobutane-1,1-dicarboxylate
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.5352 | Relay (1.0) Calculated Property | |
| ΔfG° | -544.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -766.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.82 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.35 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.283 | Crippen Calculated Property | |
| McVol | 155.780 | ml/mol | McGowan Calculated Property |
| Pc | 2581.96 | kPa | Joback Calculated Property |
| Tboil | [497.20; 499.45] | K |
|
| Tboil | 497.20 | K | NIST |
| Tboil | 499.45 ± 1.50 | K | NIST |
| Tc | 709.07 | K | Relay (1.0) Calculated Property |
| Tfus | 290.79 | K | Relay (1.0) Calculated Property |
| Vc | 0.570 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 377.20 | K | 1.60 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [218.03; 540.30] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -6.07380e+01 | |||
| Coefficient B | 1.27744e+00 | |||
| Coefficient C | -1.03740e-03 | |||
| Coefficient D | 3.61000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 218.03 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 277.34 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 328.10 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 371.47 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 408.59 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 440.59 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 468.62 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 493.82 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 517.34 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 540.30 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,1-CYCLOBUTANEDICARBOXYLIC ACID, DIETHYL ESTER.
Sources
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