Chemical Properties of 1-Triazene, 1,3-diphenyl- (CAS 136-35-6)

InChI

InChI=1S/C12H11N3/c1-3-7-11(8-4-1)13-15-14-12-9-5-2-6-10-12/h1-10H,(H,13,14)

InChI Key

ALIFPGGMJDWMJH-UHFFFAOYSA-N

Formula

C12H11N3

SMILES

c1ccc(N=NNc2ccccc2)cc1

Molecular Weight¹

197.24

CAS

136-35-6

Other Names

• 1,3-Diphenyltriazene
• 1,3-Diphenyltriazine
• Aniline, N-(phenylazo)-
• Cellofor
• DAAB
• Diazoaminobenzen
• Diazoaminobenzene
• Diazoaminobenzol
• N-(PHENYLAZO)ANILINE
• NSC 2077
• Triazene, 1,3-diphenyl-

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• 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_vapH° : Enthalpy of vaporization 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).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical 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	[-6705.30; -6562.60]	kJ/mol
ΔcH°solid	-6562.60	kJ/mol	NIST
ΔcH°solid	-6631.20	kJ/mol	NIST
ΔcH°solid	-6625.80 ± 1.30	kJ/mol	NIST
ΔcH°solid	-6705.30	kJ/mol	NIST
ΔfH°gas	455.26	kJ/mol	Relay (1.0) Calculated Property
ΔfH°solid	[331.60; 411.00]	kJ/mol
ΔfH°solid	331.60 ± 1.40	kJ/mol	NIST
ΔfH°solid	411.00	kJ/mol	NIST
ΔvapH°	81.30	kJ/mol	Relay (1.0) Calculated Property
IE	7.77	eV	Relay (1.0) Calculated Property
log10WS	-3.21		Relay (1.0) Calculated Property
logPoct/wat	3.797		Crippen Calculated Property
McVol	158.060	ml/mol	McGowan Calculated Property
Pc	2611.07	kPa	Joback Calculated Property
Tboil	601.83	K	Relay (1.0) Calculated Property
Tc	905.93	K	Relay (1.0) Calculated Property
Tfus	366.83	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[461.60; 629.33]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.61396e+01
Coefficient B			-5.73085e+03
Coefficient C			-1.00078e+02
Temperature range, min.			461.60
Temperature range, max.			629.33
Pvap	1.33	kPa	461.60	Calculated Property
Pvap	2.90	kPa	480.24	Calculated Property
Pvap	5.87	kPa	498.87	Calculated Property
Pvap	11.14	kPa	517.51	Calculated Property
Pvap	20.04	kPa	536.15	Calculated Property
Pvap	34.33	kPa	554.78	Calculated Property
Pvap	56.40	kPa	573.42	Calculated Property
Pvap	89.21	kPa	592.06	Calculated Property
Pvap	136.48	kPa	610.69	Calculated Property
Pvap	202.63	kPa	629.33	Calculated Property

Similar Compounds

Find more compounds similar to 1-Triazene, 1,3-diphenyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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.
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