- InChI
- InChI=1S/C11H8O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3
- InChI Key
- MJVAVZPDRWSRRC-UHFFFAOYSA-N
- Formula
- C11H8O2
- SMILES
- CC1=CC(=O)c2ccccc2C1=O
- Molecular Weight1
- 172.18
- CAS
- 58-27-5
- Other Names
-
- 1,4-Naphthalenedione, 2-methyl-
- 1,4-naphthoquinone, 2-methyl-
- 2-Methyl-1,4-naftochinon
- 2-Methyl-1,4-naphthalendione
- 2-Methyl-1,4-naphthochinon
- 2-Methylnaphthoquinone
- 2-methyl-1,4-naphthalenedione
- 2-methyl-1,4-naphthoquinone
- 3-Methyl-1,4-naphthoquinone
- Aquakay
- Aquinone
- Hemodal
- Juva-K
- K-Thrombyl
- K-Vitan
- Kaergona
- Kanone
- Kappaxan
- Kappaxin
- Karcon
- Kareon
- Kativ-G
- Kayklot
- Kaykot
- Kaynone
- Kayquinone
- Kipca
- Kipca-Oil Soluble
- Klottone
- Koaxin
- Kolklot
- MNQ
- Menadion
- Menaphthene
- Menaphthon
- Menaphthone
- Menaphtone
- Menaquinone O
- Mitenon
- Mitenone
- NSC 4170
- Panosine
- Prokayvit
- Synkay
- Thyloquinone
- USAF EK-5185
- Vitamin K0
- Vitamin K2(0)
- Vitamin K3
- menaquinone
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- EA : Electron affinity (eV).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion 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).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°solid | -5238.00 ± 4.00 | kJ/mol | NIST |
| EA | [1.75; 1.76] | eV |
|
| EA | 1.76 ± 0.06 | eV | NIST |
| EA | 1.75 ± 0.05 | eV | NIST |
| ΔfH°gas | -139.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.71 | kJ/mol | Joback Calculated Property |
| IE | [9.30; 9.51] | eV |
|
| IE | 9.30 | eV | NIST |
| IE | 9.46 | eV | NIST |
| IE | 9.51 | eV | NIST |
| log10WS | [-3.03; -3.03] |
|
|
| log10WS | -3.03 | Aq. Solubility Prediction | |
| log10WS | -3.03 | Estimated Solubility | |
| logPoct/wat | 2.012 | Crippen Calculated Property | |
| McVol | 130.070 | ml/mol | McGowan Calculated Property |
| Inp | [259.23; 259.23] |
|
|
| Inp | 259.23 | NIST | |
| Inp | 259.23 | NIST | |
| Tboil | 573.89 | K | Relay (1.0) Calculated Property |
| Tfus | [376.00; 380.15] | K |
|
| Tfus | 380.15 | K | Measurement and correlation of ternary solid-liquid equilibrium of 2-methyl-1,4-naphthoquinone + phthalic anhydride + acetone system |
| Tfus | 377.40 | K | Aq. Solubility Prediction |
| Tfus | 376.00 ± 1.00 | K | NIST |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [317.55; 387.25] | J/mol×K | [638.40; 899.89] |
|
| Cp,gas | 317.55 | J/mol×K | 638.40 | Joback Calculated Property |
| Cp,gas | 331.67 | J/mol×K | 681.98 | Joback Calculated Property |
| Cp,gas | 344.82 | J/mol×K | 725.56 | Joback Calculated Property |
| Cp,gas | 356.96 | J/mol×K | 769.15 | Joback Calculated Property |
| Cp,gas | 368.09 | J/mol×K | 812.73 | Joback Calculated Property |
| Cp,gas | 378.19 | J/mol×K | 856.31 | Joback Calculated Property |
| Cp,gas | 387.25 | J/mol×K | 899.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Menadione.
Mixtures
- Menadione + Carbon dioxide
- Menadione + Phthalic anhydride + Acetone
- Menadione + Acetone
- Benzene + Menadione
- Menadione + Toluene
- Menadione + Benzene, ethyl-
- Menadione + o-Xylene
- Menadione + Benzene, 1,3-dimethyl-
- Menadione + p-Xylene
- Menadione + Phthalic anhydride + 1,4-Dioxane
- Menadione + 1,4-Dioxane
- Menadione + Methyl Alcohol + Water
- Menadione + Ethanol + Water
- 1-Propanol + Menadione + Water
- Menadione + 2-Propanol + Water
- Menadione + Propylene Glycol + Water
- Menadione + Glycerin + Water
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Measurement and correlation of ternary solid-liquid equilibrium of 2-methyl-1,4-naphthoquinone + phthalic anhydride + acetone system
- Solubility of menadione and dichlone in supercritical carbon dioxide
- Solid-Liquid Equilibrium and Phase Diagram for Ternary 2-Methyl-1,4-naphthoquinone + Phthalic Anhydride +1,4-Dioxane System
- Solubilities of 2-Methyl-1,4-naphthoquinone in Water + (Methanol, Ethanol, 1-Propanol, 2-Propanol, 1,2-Propanediol, and Glycerin, Respectively) from (293.15 to 337.92) K
- Solubilities of Vitamin K3 in Benzene, Toluene, Ethylbenzene, o-Xylene, m-Xylene, and p-Xylene between (299.44 and 344.24) K
- Densities and Viscosities of Binary Mixtures of Vitamin K3 with Benzene, Toluene, Ethylbenzene, o-Xylene, m-Xylene, and p-Xylene from (303.15 to 333.15) K
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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