- InChI
- InChI=1S/C34H26N6O6S2/c35-29-17-13-21-5-1-3-7-27(21)33(29)39-37-25-15-11-23(31(19-25)47(41,42)43)9-10-24-12-16-26(20-32(24)48(44,45)46)38-40-34-28-8-4-2-6-22(28)14-18-30(34)36/h1-20H,35-36H2,(H,41,42,43)(H,44,45,46)/b10-9+,39-37+,40-38+
- InChI Key
- ANGMGEOZQHWOBK-NKPXSSHVSA-N
- Formula
- C34H26N6O6S2
- SMILES
-
Nc1ccc2ccccc2c1N=Nc1ccc(C=Cc2c
cc(N=Nc3c(N)ccc4ccccc34)cc2S(= O)(=O)O)c(S(=O)(=O)O)c1 - Molecular Weight1
- 678.74
- CAS
- 5437-12-7
- 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 | 1.7806 | Relay (1.0) Calculated Property | |
| ΔfG° | 248.59 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -57.31 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 256.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.84 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.652 | Crippen Calculated Property | |
| McVol | 470.860 | ml/mol | McGowan Calculated Property |
| Pc | 1421.85 | kPa | Joback Calculated Property |
| Tboil | 1026.46 | K | Relay (1.0) Calculated Property |
| Tc | 1656.18 | K | Relay (1.0) Calculated Property |
| Tfus | 663.02 | K | Relay (1.0) Calculated Property |
| Vc | 1.611 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 4,4'-Bis(2-amino-1-naphthylazo)-2,2'-stilbene disulfonic acid.
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
- Joback Method
- McGowan Method
- NIST Webbook
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