- InChI
- InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,12H
- InChI Key
- CSFWPUWCSPOLJW-UHFFFAOYSA-N
- Formula
- C10H6O3
- SMILES
- O=C1C=C(O)C(=O)c2ccccc21
- Molecular Weight1
- 174.15
- CAS
- 83-72-7
- Other Names
-
- Henna
- 1,4-Naphthoquinone, 2-hydroxy-
- C.I. Natural Orange 6
- C.I. 75480
- Flower of Paradise
- Hana
- Lawson
- Lawsone
- Mehendi
- Mendi
- 2-Hydroxy-1,4-naphthoquinone
- 2-Hydroxynaphthoquinone
- 2-Hydroxy-1,4-naphthalenedione
- NSC 27285
- NSC 8625
- 2-Hydroxynaphthalene-1,4-dione
- 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 |
|---|---|---|---|
| ΔfG° | -169.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -319.01 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.31 | kJ/mol | Joback Calculated Property |
| IE | [9.20; 9.60] | eV |
|
| IE | 9.20 | eV | NIST |
| IE | 9.60 | eV | NIST |
| IE | 9.50 ± 0.10 | eV | NIST |
| log10WS | -2.36 | Crippen Calculated Property | |
| logPoct/wat | 1.508 | Crippen Calculated Property | |
| McVol | 121.850 | ml/mol | McGowan Calculated Property |
| Pc | 4498.26 | kPa | Joback Calculated Property |
| Inp | 1640.00 | NIST | |
| Tboil | 707.50 | K | Joback Calculated Property |
| Tc | 949.48 | K | Joback Calculated Property |
| Tfus | 470.60 | K | Joback Calculated Property |
| Vc | 0.457 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [313.79; 364.38] | J/mol×K | [707.50; 949.48] |
|
| Cp,gas | 313.79 | J/mol×K | 707.50 | Joback Calculated Property |
| Cp,gas | 324.26 | J/mol×K | 747.83 | Joback Calculated Property |
| Cp,gas | 333.93 | J/mol×K | 788.16 | Joback Calculated Property |
| Cp,gas | 342.79 | J/mol×K | 828.49 | Joback Calculated Property |
| Cp,gas | 350.82 | J/mol×K | 868.82 | Joback Calculated Property |
| Cp,gas | 358.02 | J/mol×K | 909.15 | Joback Calculated Property |
| Cp,gas | 364.38 | J/mol×K | 949.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,4-Naphthalenedione, 2-hydroxy-.
Sources
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