Chemical Properties of 1,4-Benzenedicarbonitrile (CAS 623-26-7)

InChI

InChI=1S/C8H4N2/c9-5-7-1-2-8(6-10)4-3-7/h1-4H

InChI Key

BHXFKXOIODIUJO-UHFFFAOYSA-N

Formula

C8H4N2

SMILES

N#Cc1ccc(C#N)cc1

Molecular Weight¹

128.13

CAS

623-26-7

Other Names

• Terephthalonitrile
• p-Benzenedinitrile
• p-Dicyanobenzene
• p-Phthalodinitrile
• Terephthalic acid dinitrile
• Terephthalodinitrile
• 1,4-Dicyanobenzene
• 4-Cyanobenzonitrile
• Terephthalonitrile (di)
• p-Pdn
• Nitril kyseliny tereftalove
• Tereftalodinitril
• 1,4-Benzodinitrile
• 1,4-Benzendikarbonitril
• Tereftalonitril
• p-Phthalonitrile
• p-Cyanobenzonitrile
• NSC 144977
• NSC 78439

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• EA : Electron affinity (eV).
• Δ_fG° : Standard Gibbs free energy of formation (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_fusH° : Enthalpy of fusion 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).
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
PAff	779.00	kJ/mol	NIST
BasG	751.80	kJ/mol	NIST
ΔcH°solid	[-3988.20; -3988.04]	kJ/mol
ΔcH°solid	-3988.20 ± 0.60	kJ/mol	NIST
ΔcH°solid	-3988.04 ± 0.59	kJ/mol	NIST
EA	1.09 ± 0.09	eV	NIST
ΔfG°	385.62	kJ/mol	Joback Calculated Property
ΔfH°gas	[357.10; 358.30]	kJ/mol
ΔfH°gas	358.30 ± 2.20	kJ/mol	NIST
ΔfH°gas	357.10 ± 1.90	kJ/mol	NIST
ΔfH°solid	[268.30; 268.50]	kJ/mol
ΔfH°solid	268.50 ± 1.20	kJ/mol	NIST
ΔfH°solid	268.30 ± 1.20	kJ/mol	NIST
ΔfusH°	13.14	kJ/mol	Joback Calculated Property
ΔvapH°	57.30	kJ/mol	Joback Calculated Property
IE	[10.10; 10.10]	eV
IE	10.10	eV	NIST
IE	10.10	eV	NIST
IE	10.10	eV	NIST
log10WS	-2.18		Crippen Calculated Property
logPoct/wat	1.430		Crippen Calculated Property
McVol	102.580	ml/mol	McGowan Calculated Property
Pc	3380.21	kPa	Joback Calculated Property
S°solid,1 bar	183.00	J/mol×K	NIST
Tboil	618.26	K	Joback Calculated Property
Tc	866.90	K	Joback Calculated Property
Tfus	348.84	K	Joback Calculated Property
Ttriple	450.15 ± 1.00	K	NIST
Vc	0.427	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[213.21; 250.39]	J/mol×K	[618.26; 866.90]
Cp,gas	213.21	J/mol×K	618.26	Joback Calculated Property
Cp,gas	220.77	J/mol×K	659.70	Joback Calculated Property
Cp,gas	227.75	J/mol×K	701.14	Joback Calculated Property
Cp,gas	234.16	J/mol×K	742.58	Joback Calculated Property
Cp,gas	240.06	J/mol×K	784.02	Joback Calculated Property
Cp,gas	245.45	J/mol×K	825.46	Joback Calculated Property
Cp,gas	250.39	J/mol×K	866.90	Joback Calculated Property
Cp,solid	161.20	J/mol×K	298.15	NIST

Similar Compounds

Find more compounds similar to 1,4-Benzenedicarbonitrile.

Sources

• 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.