- 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-Naphthalenedione
- 2-Methyl-1,4-naftochinon
- 2-Methyl-1,4-naphthalendione
- 2-Methyl-1,4-naphthochinon
- 2-Methyl-1,4-naphthoquinone
- 2-Methylnaphthoquinone
- 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
- Menaquinone O
- Mitenon
- Mitenone
- NSC 4170
- Panosine
- Prokayvit
- Synkay
- Thyloquinone
- USAF EK-5185
- Vitamin K0
- Vitamin K2(0)
- Vitamin K3
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- EA : Electron affinity (eV).
- 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 | 0.4870 | Relay (1.0) Calculated Property | |
| 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 |
| ΔfG° | -23.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -139.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.29 | kJ/mol | Relay (1.0) 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 |
| Pc | 3547.31 | kPa | Joback Calculated Property |
| Inp | [259.23; 259.23] |
|
|
| Inp | 259.23 | NIST | |
| Inp | 259.23 | NIST | |
| Tboil | 573.89 | K | Relay (1.0) Calculated Property |
| Tc | 836.55 | K | Relay (1.0) Calculated Property |
| Tfus | [376.00; 380.15] | K |
|
| Tfus | 377.40 | K | Aq. Solubility Prediction |
| Tfus | 380.15 | K | Measurement and correlation of ternary solid-liquid equilibrium of 2-methyl-1,4-naphthoquinone + phthalic anhydride + acetone system |
| Tfus | 376.00 ± 1.00 | K | NIST |
| Vc | 0.469 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [317.48; 387.19] | J/mol×K | [638.20; 899.61] |
|
| Cp,gas | 317.48 | J/mol×K | 638.20 | Joback Calculated Property |
| Cp,gas | 331.61 | J/mol×K | 681.77 | Joback Calculated Property |
| Cp,gas | 344.75 | J/mol×K | 725.34 | Joback Calculated Property |
| Cp,gas | 356.89 | J/mol×K | 768.90 | Joback Calculated Property |
| Cp,gas | 368.02 | J/mol×K | 812.47 | Joback Calculated Property |
| Cp,gas | 378.13 | J/mol×K | 856.04 | Joback Calculated Property |
| Cp,gas | 387.19 | J/mol×K | 899.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Menadione.
Mixtures
- Menadione + Phthalic anhydride + Acetone
- Menadione + Acetone
- Benzene + Menadione
- Menadione + Toluene
- Menadione + Ethylbenzene
- Menadione + o-Xylene
- Menadione + Benzene, 1,3-dimethyl-
- Menadione + p-Xylene
- Menadione + Carbon dioxide
- Menadione + Phthalic anhydride + 1,4-Dioxane
- Menadione + 1,4-Dioxane
- Menadione + Methyl Alcohol + Water
- Menadione + Ethanol + Water
- 1-Propanol + Menadione + Water
- Menadione + Isopropyl Alcohol + Water
- Menadione + Propylene Glycol + Water
- Menadione + Glycerin + Water
Sources
- Cheméo Relay (1.0)
- 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
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