Chemical Properties of 1,8-Naphthalenediamine

InChI

InChI=1S/C10H10N2/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1-6H,11-12H2

InChI Key

YFOOEYJGMMJJLS-UHFFFAOYSA-N

Formula

C10H10N2

SMILES

Nc1cccc2cccc(N)c12

Molecular Weight¹

158.20

Other Names

• 1,8-Naphthylenediamine
• 1,8-diaminonaphthalene
• Naphthalene-1,8-diamine

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : 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_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation 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).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5887		Relay (1.0) Calculated Property
PAff	944.50	kJ/mol	NIST
BasG	912.10	kJ/mol	NIST
ΔfH°gas	155.36	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.15	kJ/mol	Vapor Pressures and Phase Transitions of a Series of the Aminonaphthalenes
ΔsubH°	[94.10; 99.00]	kJ/mol
ΔsubH°	99.00 ± 0.70	kJ/mol	NIST
ΔsubH°	94.10 ± 0.40	kJ/mol	NIST
ΔvapH°	79.60 ± 0.30	kJ/mol	NIST
IE	7.10	eV	Relay (1.0) Calculated Property
log10WS	-2.98		Relay (1.0) Calculated Property
logPoct/wat	2.004		Crippen Calculated Property
McVol	128.500	ml/mol	McGowan Calculated Property
Pc	4339.67	kPa	Joback Calculated Property
Tboil	594.85	K	Relay (1.0) Calculated Property
Tc	907.77	K	Relay (1.0) Calculated Property
Tfus	430.40	K	Relay (1.0) Calculated Property
Vc	0.435	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation 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

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[165.21; 391.79]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-2.99700e+01
Coefficient B			8.76000e-01
Coefficient C			-6.40840e-04
Coefficient D			1.86600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	165.21	J/mol×K	273.00	Calculated Property
Cp,gas	207.99	J/mol×K	353.78	Calculated Property
Cp,gas	245.00	J/mol×K	434.56	Calculated Property
Cp,gas	276.81	J/mol×K	515.33	Calculated Property
Cp,gas	304.03	J/mol×K	596.11	Calculated Property
Cp,gas	327.24	J/mol×K	676.89	Calculated Property
Cp,gas	347.03	J/mol×K	757.67	Calculated Property
Cp,gas	363.99	J/mol×K	838.44	Calculated Property
Cp,gas	378.71	J/mol×K	919.22	Calculated Property
Cp,gas	391.79	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1,8-Naphthalenediamine.

Mixtures

• Methyl Alcohol + 1,8-Naphthalenediamine
• 1-Propanol + 1,8-Naphthalenediamine
• 2-Propanol + 1,8-Naphthalenediamine
• Toluene + 1,8-Naphthalenediamine
• Ethyl Acetate + 1,8-Naphthalenediamine
• Acetonitrile + 1,8-Naphthalenediamine

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Enthalpies of combustion, vapour pressures, and enthalpies of sublimation of the 1,5- and 1,8-diaminonaphthalenes
• Solubility Determination of 1,5-Naphthalenediamine and 1,8-Naphthalenediamine in Different Solvents and Mixing Properties of Solutions
• Vapor Pressures and Phase Transitions of a Series of the Aminonaphthalenes
• 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.
These property values are available through the Cheméo API. A free account gives you an access key.