- InChI
- InChI=1S/C11H8O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-5,12H,1H3
- InChI Key
- VCMMXZQDRFWYSE-UHFFFAOYSA-N
- Formula
- C11H8O3
- SMILES
- CC1=CC(=O)c2c(O)cccc2C1=O
- Molecular Weight1
- 188.18
- CAS
- 481-42-5
- Other Names
-
- 1,4-Naphthalenedione, 5-hydroxy-2-methyl-
- 1,4-Naphthoquinone, 5-hydroxy-2-methyl-
- 2-Methyl-5-hydroxy-1,4-naphthoquinone
- 2-Methyljuglone
- 5-hydroxy-2-methyl-1,4-naphthalenedione
- 5-hydroxy-2-methyl-1,4-naphthoquinone
- NSC 236613
- NSC 688284
- Plumbaein
- Plumbagine
- Plumbagone
- 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° | -178.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -364.73 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.87 | kJ/mol | Joback Calculated Property |
| log10WS | -2.51 | Crippen Calculated Property | |
| logPoct/wat | 1.718 | Crippen Calculated Property | |
| McVol | 135.940 | ml/mol | McGowan Calculated Property |
| Pc | 4271.86 | kPa | Joback Calculated Property |
| Inp | [1600.00; 1600.00] |
|
|
| Inp | 1600.00 | NIST | |
| Inp | 1600.00 | NIST | |
| Tboil | 718.82 | K | Joback Calculated Property |
| Tc | 987.06 | K | Joback Calculated Property |
| Tfus | 532.77 | K | Joback Calculated Property |
| Vc | 0.460 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [362.03; 424.10] | J/mol×K | [718.82; 987.06] |
|
| Cp,gas | 362.03 | J/mol×K | 718.82 | Joback Calculated Property |
| Cp,gas | 374.36 | J/mol×K | 763.53 | Joback Calculated Property |
| Cp,gas | 385.83 | J/mol×K | 808.23 | Joback Calculated Property |
| Cp,gas | 396.48 | J/mol×K | 852.94 | Joback Calculated Property |
| Cp,gas | 406.37 | J/mol×K | 897.65 | Joback Calculated Property |
| Cp,gas | 415.56 | J/mol×K | 942.36 | Joback Calculated Property |
| Cp,gas | 424.10 | J/mol×K | 987.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Plumbagin.
Mixtures
Sources
- Crippen Method
- Crippen Method
- Measurement and Correlation of 1,4-Naphthoquinone and of Plumbagin Solubilities in Supercritical Carbon Dioxide
- Joback Method
- McGowan Method
- NIST Webbook
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