- InChI
- InChI=1S/C9H14O4/c1-3-12-7(10)9(5-6-9)8(11)13-4-2/h3-6H2,1-2H3
- InChI Key
- KYYUCZOHNYSLFV-UHFFFAOYSA-N
- Formula
- C9H14O4
- SMILES
- CCOC(=O)C1(C(=O)OCC)CC1
- Molecular Weight1
- 186.21
- CAS
- 1559-02-0
- Other Names
-
- 1,1-Cyclopropanedicarboxylic acid, diethyl ester
- Diethyl cyclopropane-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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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 | 0.5262 | Relay (1.0) Calculated Property | |
| ΔfG° | -540.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -734.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.59 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.81 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.03 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.893 | Crippen Calculated Property | |
| McVol | 141.690 | ml/mol | McGowan Calculated Property |
| Pc | 2778.85 | kPa | Joback Calculated Property |
| Tboil | 490.47 | K | Relay (1.0) Calculated Property |
| Tc | 691.80 | K | Relay (1.0) Calculated Property |
| Tfus | 286.71 | K | Relay (1.0) Calculated Property |
| Vc | 0.528 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 63.90 ± 0.50 | kJ/mol | 303.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 368.20 | K | 1.30 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [201.71; 486.93] | 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 | -5.47080e+01 | |||
| Coefficient B | 1.19204e+00 | |||
| Coefficient C | -1.02940e-03 | |||
| Coefficient D | 3.79000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 201.71 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 254.95 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 300.01 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 338.08 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 370.37 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 398.06 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 422.37 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 444.48 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 465.60 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 486.93 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Diethyl 1,1-cyclopropanedicarboxylate.
Sources
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