- InChI
- InChI=1S/C12H10N4O2/c1-5-3-7-8(4-6(5)2)14-10-9(13-7)11(17)16-12(18)15-10/h3-4H,1-2H3,(H2,14,15,16,17,18)
- InChI Key
- ZJTJUVIJVLLGSP-UHFFFAOYSA-N
- Formula
- C12H10N4O2
- SMILES
-
Cc1cc2nc3[nH]c(=O)[nH]c(=O)c3n
c2cc1C - Molecular Weight1
- 242.23
- CAS
- 1086-80-2
- Other Names
-
- Benzo[g]pteridine-2,4(1H,3H)-dione, 7,8-dimethyl-
- Alloxazine, 7,8-dimethyl-
- Riboflavin lumichrome
- 7,8-Dimethylalloxazine
- Lumichrome (I)
- 7,8-dimethylbenzo[g]pteridine-2,4(1H,3H)-dione
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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).
- 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 | 0.7342 | Relay (1.0) Calculated Property | |
| ΔfG° | 119.23 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -109.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 137.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.32 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.66 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.187 | Crippen Calculated Property | |
| McVol | 168.920 | ml/mol | McGowan Calculated Property |
| Pc | 4596.71 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 678.26 | K | Relay (1.0) Calculated Property |
| Tc | 1064.36 | K | Relay (1.0) Calculated Property |
| Tfus | 655.15 | K | Relay (1.0) Calculated Property |
| Vc | 0.638 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Lumichrome.
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
- Crippen Method
- McGowan Method
- NIST Webbook
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