- InChI
- InChI=1S/C10H14O3/c1-6-8(13-4)7(11)5-10(2,3)9(6)12/h5H2,1-4H3
- InChI Key
- ATEVRAIEOLFIJD-UHFFFAOYSA-N
- Formula
- C10H14O3
- SMILES
- COC1=C(C)C(=O)C(C)(C)CC1=O
- Molecular Weight1
- 182.22
- CAS
- 41654-27-7
- 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).
- 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 |
|---|---|---|---|
| ω | 0.4572 | Relay (... Calculated Property | |
| ΔfG° | -287.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -435.12 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 7.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.61 | kJ/mol | Relay (... Calculated Property |
| IE | 8.56 | eV | Relay (... Calculated Property |
| log10WS | -1.69 | Relay (... Calculated Property | |
| logPoct/wat | 1.475 | Crippen Calculated Property | |
| McVol | 145.610 | ml/mol | McGowan Calculated Property |
| Pc | 2862.74 | kPa | Joback Calculated Property |
| Inp | [1252.00; 1252.00] |
|
|
| Inp | 1252.00 | NIST | |
| Inp | 1252.00 | NIST | |
| Tboil | 502.16 | K | Relay (... Calculated Property |
| Tc | 718.95 | K | Relay (... Calculated Property |
| Tfus | 367.88 | K | Relay (... Calculated Property |
| Vc | 0.511 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [374.71; 462.48] | J/mol×K | [615.17; 853.35] |
|
| Cp,gas | 374.71 | J/mol×K | 615.17 | Joback Calculated Property |
| Cp,gas | 390.90 | J/mol×K | 654.87 | Joback Calculated Property |
| Cp,gas | 406.43 | J/mol×K | 694.56 | Joback Calculated Property |
| Cp,gas | 421.31 | J/mol×K | 734.26 | Joback Calculated Property |
| Cp,gas | 435.59 | J/mol×K | 773.95 | Joback Calculated Property |
| Cp,gas | 449.30 | J/mol×K | 813.65 | Joback Calculated Property |
| Cp,gas | 462.48 | J/mol×K | 853.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-methoxy-3,5,5-trimethylcyclohex-2-ene-1,4-dione.
Sources
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