Chemical Properties of Hydrazine, phenyl- (CAS 100-63-0)

InChI

InChI=1S/C6H8N2/c7-8-6-4-2-1-3-5-6/h1-5,8H,7H2

InChI Key

HKOOXMFOFWEVGF-UHFFFAOYSA-N

Formula

C6H8N2

SMILES

NNc1ccccc1

Molecular Weight¹

108.14

CAS

100-63-0

Other Names

• 1-Phenylhydrazine
• Fenilidrazina
• Fenylhydrazine
• Hydrazinobenzene
• Monophenylhydrazine
• Phenylhydrazin
• Phenylhydrazine
• UN 2572
• phenyl hydrazine

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• NFPA Fire : NFPA Fire Rating.
• NFPA Health : NFPA Health Rating.
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• 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
ω	0.4384		Relay (1.0) Calculated Property
ΔcH°liquid	[-3683.60; -3645.40]	kJ/mol
ΔcH°liquid	-3645.40 ± 0.84	kJ/mol	NIST
ΔcH°liquid	-3646.60	kJ/mol	NIST
ΔcH°liquid	-3647.00 ± 3.00	kJ/mol	NIST
ΔcH°liquid	-3683.60	kJ/mol	NIST
ΔfG°	267.89	kJ/mol	Joback Calculated Property
ΔfH°gas	[202.90; 240.90]	kJ/mol
ΔfH°gas	202.90 ± 1.20	kJ/mol	NIST
ΔfH°gas	204.10	kJ/mol	NIST
ΔfH°gas	205.00 ± 13.00	kJ/mol	NIST
ΔfH°gas	240.90	kJ/mol	NIST
ΔfH°liquid	[141.00; 179.00]	kJ/mol
ΔfH°liquid	141.00 ± 0.80	kJ/mol	NIST
ΔfH°liquid	142.20	kJ/mol	NIST
ΔfH°liquid	179.00	kJ/mol	NIST
ΔfusH°	15.63	kJ/mol	Joback Calculated Property
ΔvapH°	[61.46; 61.90]	kJ/mol
ΔvapH°	61.90 ± 0.80	kJ/mol	NIST
ΔvapH°	61.90	kJ/mol	NIST
ΔvapH°	61.46	kJ/mol	NIST
IE	[7.64; 7.86]	eV
IE	7.74	eV	NIST
IE	7.64 ± 0.02	eV	NIST
IE	7.86	eV	NIST
log10WS	[0.07; 0.07]
log10WS	0.07		Aq. Solubility Prediction
log10WS	0.07		Estimated Solubility
logPoct/wat	0.972		Crippen Calculated Property
McVol	91.600	ml/mol	McGowan Calculated Property
NFPA Fire	2		KDB
NFPA Health	3		KDB
Pc	5153.45	kPa	Joback Calculated Property
Inp	1157.00		NIST
Tboil	[512.70; 516.65]	K
Tboil	512.70	K	NIST
Tboil	516.20	K	NIST
Tboil	516.65 ± 1.00	K	NIST
Tc	771.53	K	Relay (1.0) Calculated Property
Tfus	[283.15; 295.00]	K
Tfus	292.15	K	KDB
Tfus	292.45	K	Aq. Solubility Prediction
Tfus	292.80 ± 0.02	K	NIST
Tfus	283.15 ± 1.50	K	NIST
Tfus	295.00 ± 0.50	K	NIST

Cheméo can also estimate Critical Volume for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[188.26; 243.45]	J/mol×K	[486.26; 717.86]
Cp,gas	188.26	J/mol×K	486.26	Joback Calculated Property
Cp,gas	199.25	J/mol×K	524.86	Joback Calculated Property
Cp,gas	209.47	J/mol×K	563.46	Joback Calculated Property
Cp,gas	218.97	J/mol×K	602.06	Joback Calculated Property
Cp,gas	227.77	J/mol×K	640.66	Joback Calculated Property
Cp,gas	235.92	J/mol×K	679.26	Joback Calculated Property
Cp,gas	243.45	J/mol×K	717.86	Joback Calculated Property
Cp,liquid	217.30	J/mol×K	299.45	NIST
ΔfusH	[16.43; 16.43]	kJ/mol	[292.80; 292.80]
ΔfusH	16.43	kJ/mol	292.80	NIST
ΔfusH	16.43	kJ/mol	292.80	NIST
ΔvapH	[57.20; 59.20]	kJ/mol	[421.50; 465.50]
ΔvapH	57.20	kJ/mol	421.50	NIST
ΔvapH	59.20	kJ/mol	431.00	NIST
ΔvapH	57.30	kJ/mol	465.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[389.27; 541.70]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.60520e+01
Coefficient B			-5.13721e+03
Coefficient C			-6.33960e+01
Temperature range, min.			389.27
Temperature range, max.			541.70
Pvap	1.33	kPa	389.27	Calculated Property
Pvap	2.91	kPa	406.21	Calculated Property
Pvap	5.88	kPa	423.14	Calculated Property
Pvap	11.18	kPa	440.08	Calculated Property
Pvap	20.10	kPa	457.02	Calculated Property
Pvap	34.44	kPa	473.95	Calculated Property
Pvap	56.54	kPa	490.89	Calculated Property
Pvap	89.38	kPa	507.83	Calculated Property
Pvap	136.63	kPa	524.76	Calculated Property
Pvap	202.67	kPa	541.70	Calculated Property

Similar Compounds

Find more compounds similar to Hydrazine, phenyl-.

Sources

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

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