- InChI
- InChI=1S/C9H14O3/c1-3-12-9(11)8-6(2)4-5-7(8)10/h6,8H,3-5H2,1-2H3
- InChI Key
- LPGXYGZNLBXGSA-UHFFFAOYSA-N
- Formula
- C9H14O3
- SMILES
- CCOC(=O)C1C(=O)CCC1C
- Molecular Weight1
- 170.21
- CAS
- 58073-90-8
- 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).
- 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).
- Inp : Non-polar retention indices.
- 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 |
|---|---|---|---|
| ΔfG° | -302.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -571.45 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.98 | kJ/mol | Joback Calculated Property |
| log10WS | -1.14 | Crippen Calculated Property | |
| logPoct/wat | 1.165 | Crippen Calculated Property | |
| McVol | 135.820 | ml/mol | McGowan Calculated Property |
| Pc | 2909.25 | kPa | Joback Calculated Property |
| Inp | [1238.00; 1238.00] |
|
|
| Inp | 1238.00 | NIST | |
| Inp | 1238.00 | NIST | |
| Tboil | 560.04 | K | Joback Calculated Property |
| Tc | 775.61 | K | Joback Calculated Property |
| Tfus | 338.23 | K | Joback Calculated Property |
| Vc | 0.510 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [340.32; 424.69] | J/mol×K | [560.04; 775.61] |
|
| Cp,gas | 340.32 | J/mol×K | 560.04 | Joback Calculated Property |
| Cp,gas | 356.31 | J/mol×K | 595.97 | Joback Calculated Property |
| Cp,gas | 371.55 | J/mol×K | 631.90 | Joback Calculated Property |
| Cp,gas | 386.03 | J/mol×K | 667.82 | Joback Calculated Property |
| Cp,gas | 399.73 | J/mol×K | 703.75 | Joback Calculated Property |
| Cp,gas | 412.62 | J/mol×K | 739.68 | Joback Calculated Property |
| Cp,gas | 424.69 | J/mol×K | 775.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methyl-2-methoxycarbonylcyclopentanone.
Sources
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