Chemical Properties of PARAROSANILINE BASE

InChI

InChI=1S/C19H19N3O/c20-16-7-1-13(2-8-16)19(23,14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,23H,20-22H2

InChI Key

KRVRUAYUNOQMOV-UHFFFAOYSA-N

Formula

C19H19N3O

SMILES

Nc1ccc(C(O)(c2ccc(N)cc2)c2ccc(N)cc2)cc1

Molecular Weight¹

305.38

Other Names

• 4,4',4''-triaminotrityl alcohol
• Tris(4-aminophenyl)methanol
• Tris(p-aminophenyl)methanol

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	[-10391.00; -10391.00]	kJ/mol
ΔcH°solid	-10391.00	kJ/mol	NIST
ΔcH°solid	-10391.00	kJ/mol	NIST
ΔfH°gas	141.13	kJ/mol	Relay (1.0) Calculated Property
ΔfH°solid	[127.00; 199.00]	kJ/mol
ΔfH°solid	199.00	kJ/mol	NIST
ΔfH°solid	127.00	kJ/mol	NIST
ΔfusH°	38.19	kJ/mol	Joback Calculated Property
IE	7.22	eV	Relay (1.0) Calculated Property
log10WS	-3.13		Relay (1.0) Calculated Property
logPoct/wat	2.717		Crippen Calculated Property
McVol	243.100	ml/mol	McGowan Calculated Property
Tboil	702.65	K	Relay (1.0) Calculated Property
Tfus	441.25	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[772.03; 829.65]	J/mol×K	[1035.64; 1301.22]
Cp,gas	772.03	J/mol×K	1035.64	Joback Calculated Property
Cp,gas	782.63	J/mol×K	1079.90	Joback Calculated Property
Cp,gas	792.61	J/mol×K	1124.17	Joback Calculated Property
Cp,gas	802.13	J/mol×K	1168.43	Joback Calculated Property
Cp,gas	811.36	J/mol×K	1212.70	Joback Calculated Property
Cp,gas	820.48	J/mol×K	1256.96	Joback Calculated Property
Cp,gas	829.65	J/mol×K	1301.22	Joback Calculated Property

Similar Compounds

Find more compounds similar to PARAROSANILINE BASE.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.