- InChI
- InChI=1S/C16H10N2O2/c19-15-9-5-1-3-7-11(9)17-13(15)14-16(20)10-6-2-4-8-12(10)18-14/h1-8,17-18H/b14-13+
- InChI Key
- COHYTHOBJLSHDF-BUHFOSPRSA-N
- Formula
- C16H10N2O2
- SMILES
-
O=C1C(=C2Nc3ccccc3C2=O)Nc2cccc
c21 - Molecular Weight1
- 262.26
- CAS
- 482-89-3
- Other Names
-
- Indigotin
- CI 73000
- 3H-Indol-3-one, 2-(1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,2-dihydro-
- «DELTA»2,2'-Bipseudoindoxyl
- («DELTA»2,2'(3H,3'H)-Biindole)-3,3'-dione
- («DELTA»2,2'-Biindoline)-3,3'-dione
- Blue No. 201
- C.I. Vat Blue 1
- C.I. 73000
- Cystoceva
- D and C Blue No. 6
- D and C Blue Number 6
- D+C Blue No. 6
- D&C Blue No.6
- D&C Blue 6
- Diindogen
- Indigo Blue
- Indigo Ciba
- Indigo Ciba SL
- Indigo J
- Indigo N
- Indigo NAC
- Indigo NACCO
- Indigo P
- Indigo Powder W
- Indigo Pure BASF
- Indigo Pure BASF Powder K
- Indigo PLN
- Indigo Synthetic
- Indigo VS
- Lithosol Deep Blue B
- Mitsui Indigo Paste
- Mitsui Indigo Pure
- Monolite Fast Navy Blue BV
- Pigment Blue 66
- Synthetic Indigo
- Synthetic Indigo TS
- Vat Blue 1
- Vulcafix Blue R
- Vulcafor Blue A
- Vulcanosine Dark Blue L
- Vulcol Fast Blue GL
- Vynamon Blue A
- 11669 Blue
- (2,2'-Biindoline)-3,3'-dione
- Lithosol deep blue V
- Modr kypova 1
- NCI-C61392
- 2-(1,3-Dihydro-3-oxo-2H-indol-2-ylidene)-1,2-dihydro-3H-indol-3-one
- C.I. pigment blue 66
- D & C blue No 6
- Indigotine
- Indigotin (natural)
- Pigment Indigo
- 2-(1,3-Dihydro-3-oxo-2H-indol-2-ylidene)-1,2-dihydro-3H-indol-3-one (C.I. Vat Blue 1)
- 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).
- ΔsubH : Enthalpy of sublimation at a given temperature (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).
- 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° | 367.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 97.89 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.16 | kJ/mol | Joback Calculated Property |
| log10WS | -4.25 | Crippen Calculated Property | |
| logPoct/wat | 2.815 | Crippen Calculated Property | |
| McVol | 185.860 | ml/mol | McGowan Calculated Property |
| Pc | 3585.64 | kPa | Joback Calculated Property |
| Tboil | 893.48 | K | Joback Calculated Property |
| Tc | 1183.18 | K | Joback Calculated Property |
| Tfus | 764.62 | K | Joback Calculated Property |
| Vc | 0.706 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [544.75; 602.25] | J/mol×K | [893.48; 1183.18] | 
|
| Cp,gas | 544.75 | J/mol×K | 893.48 | Joback Calculated Property |
| Cp,gas | 557.53 | J/mol×K | 941.76 | Joback Calculated Property |
| Cp,gas | 568.94 | J/mol×K | 990.05 | Joback Calculated Property |
| Cp,gas | 579.05 | J/mol×K | 1038.33 | Joback Calculated Property |
| Cp,gas | 587.93 | J/mol×K | 1086.61 | Joback Calculated Property |
| Cp,gas | 595.64 | J/mol×K | 1134.89 | Joback Calculated Property |
| Cp,gas | 602.25 | J/mol×K | 1183.18 | Joback Calculated Property |
| ΔsubH | 136.00 | kJ/mol | 576.50 | NIST |
Similar Compounds
Find more compounds similar to Indigo.
Sources
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