- 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
-
- Diethyl cyclopropane-1,1-dicarboxylate
- 1,1-Cyclopropanedicarboxylic acid, diethyl ester
- 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° | -387.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -734.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.52 | 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 | 3035.62 | kPa | Joback Calculated Property |
| Tboil | 490.47 | K | Relay (1.0) Calculated Property |
| Tc | 688.12 | K | Relay (1.0) Calculated Property |
| Tfus | 293.63 | K | Relay (1.0) Calculated Property |
| Vc | 0.526 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [352.24; 419.17] | J/mol×K | [564.88; 766.58] | 
|
| Cp,gas | 352.24 | J/mol×K | 564.88 | Joback Calculated Property |
| Cp,gas | 364.83 | J/mol×K | 598.50 | Joback Calculated Property |
| Cp,gas | 376.73 | J/mol×K | 632.11 | Joback Calculated Property |
| Cp,gas | 388.04 | J/mol×K | 665.73 | Joback Calculated Property |
| Cp,gas | 398.82 | J/mol×K | 699.34 | Joback Calculated Property |
| Cp,gas | 409.17 | J/mol×K | 732.96 | Joback Calculated Property |
| Cp,gas | 419.17 | J/mol×K | 766.58 | Joback Calculated Property |
| 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 |
Similar Compounds
Find more compounds similar to Diethyl 1,1-cyclopropanedicarboxylate.
Sources
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