- InChI
- InChI=1S/C22H26N2O2/c1-3-5-13-23-17-11-12-18(24-14-6-4-2)20-19(17)21(25)15-9-7-8-10-16(15)22(20)26/h7-12,23-24H,3-6,13-14H2,1-2H3
- InChI Key
- OCQDPIXQTSYZJL-UHFFFAOYSA-N
- Formula
- C22H26N2O2
- SMILES
-
CCCCNc1ccc(NCCCC)c2c1C(=O)c1cc
ccc1C2=O - Molecular Weight1
- 350.45
- CAS
- 17354-14-2
- Other Names
-
- 9,10-Anthracenedione, 1,4-bis(butylamino)-
- 1,4-bis(butylamino)anthraquinone
- 1,4-bis(N-butylamino)-9,10-anthraquinone
- ω : Acentric Factor.
- 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).
- 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 | 0.9942 | Relay (1.0) Calculated Property | |
| ΔfG° | 334.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -240.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 123.58 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.34 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.20 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.886 | Crippen Calculated Property | |
| McVol | 285.560 | ml/mol | McGowan Calculated Property |
| Pc | 1607.71 | kPa | Joback Calculated Property |
| Tboil | 719.75 | K | Relay (1.0) Calculated Property |
| Tc | 1061.68 | K | Relay (1.0) Calculated Property |
| Tfus | 422.26 | K | Relay (1.0) Calculated Property |
| Vc | 1.025 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [955.33; 1017.25] | J/mol×K | [1019.16; 1260.26] | 
|
| Cp,gas | 955.33 | J/mol×K | 1019.16 | Joback Calculated Property |
| Cp,gas | 968.74 | J/mol×K | 1059.34 | Joback Calculated Property |
| Cp,gas | 980.84 | J/mol×K | 1099.53 | Joback Calculated Property |
| Cp,gas | 991.68 | J/mol×K | 1139.71 | Joback Calculated Property |
| Cp,gas | 1001.32 | J/mol×K | 1179.90 | Joback Calculated Property |
| Cp,gas | 1009.83 | J/mol×K | 1220.08 | Joback Calculated Property |
| Cp,gas | 1017.25 | J/mol×K | 1260.26 | Joback Calculated Property |
| ΔsubH | 116.40 ± 2.30 | kJ/mol | 393.50 | NIST |
Similar Compounds
Find more compounds similar to Solvent blue 35,CI 61554.
Sources
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