- InChI
- InChI=1S/C7H10O4/c1-10-5(8)7(3-4-7)6(9)11-2/h3-4H2,1-2H3
- InChI Key
- PWLLZZMFFZUSOG-UHFFFAOYSA-N
- Formula
- C7H10O4
- SMILES
- COC(=O)C1(C(=O)OC)CC1
- Molecular Weight1
- 158.15
- CAS
- 6914-71-2
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- 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 | 0.4569 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -3463.00 | kJ/mol | NIST |
| ΔfG° | -404.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -642.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.87 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.44 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.113 | Crippen Calculated Property | |
| McVol | 113.510 | ml/mol | McGowan Calculated Property |
| Pc | 3796.32 | kPa | Joback Calculated Property |
| Tboil | 466.88 | K | Relay (1.0) Calculated Property |
| Tc | 665.45 | K | Relay (1.0) Calculated Property |
| Tfus | 327.14 | K | Relay (1.0) Calculated Property |
| Vc | 0.407 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [263.03; 319.40] | J/mol×K | [519.12; 726.97] | 
|
| Cp,gas | 263.03 | J/mol×K | 519.12 | Joback Calculated Property |
| Cp,gas | 273.84 | J/mol×K | 553.76 | Joback Calculated Property |
| Cp,gas | 283.97 | J/mol×K | 588.40 | Joback Calculated Property |
| Cp,gas | 293.50 | J/mol×K | 623.05 | Joback Calculated Property |
| Cp,gas | 302.53 | J/mol×K | 657.69 | Joback Calculated Property |
| Cp,gas | 311.14 | J/mol×K | 692.33 | Joback Calculated Property |
| Cp,gas | 319.40 | J/mol×K | 726.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,1-Cyclopropanedicarboxylic acid dimethyl ester.
Sources
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