Chemical Properties of Butane, 1-isocyano- (CAS 2769-64-4)

InChI

InChI=1S/C5H9N/c1-3-4-5-6-2/h3-5H2,1H3

InChI Key

FSBLVBBRXSCOKU-UHFFFAOYSA-N

Formula

C5H9N

SMILES

[C-]#[N+]CCCC

Molecular Weight¹

83.13

CAS

2769-64-4

Other Names

• Butyl isocyanide
• Butylisonitrile
• n-Butyl isocyanide
• n-C4H9NC

• ω : Acentric Factor.
• C_p,gas : Ideal gas 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_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).
• P_vap : Vapor pressure (kPa).
• T_boil : Normal Boiling Point Temperature (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	0.2275		Relay (1.0) Calculated Property
ΔfG°	124.40	kJ/mol	Joback Calculated Property
ΔfH°gas	85.06	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	10.21	kJ/mol	Joback Calculated Property
ΔvapH°	36.03	kJ/mol	Relay (1.0) Calculated Property
IE	[11.10; 11.71]	eV
IE	11.71 ± 0.05	eV	NIST
IE	11.10	eV	NIST
log10WS	-0.94		Relay (1.0) Calculated Property
logPoct/wat	1.706		Crippen Calculated Property
McVol	82.690	ml/mol	McGowan Calculated Property
Pc	3368.44	kPa	Joback Calculated Property
Tboil	367.79	K	Relay (1.0) Calculated Property
Tc	487.87	K	Relay (1.0) Calculated Property
Tfus	187.28	K	Relay (1.0) Calculated Property
Vc	0.289	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[152.81; 195.68]	J/mol×K	[415.88; 606.51]
Cp,gas	152.81	J/mol×K	415.88	Joback Calculated Property
Cp,gas	160.74	J/mol×K	447.65	Joback Calculated Property
Cp,gas	168.35	J/mol×K	479.42	Joback Calculated Property
Cp,gas	175.64	J/mol×K	511.20	Joback Calculated Property
Cp,gas	182.62	J/mol×K	542.97	Joback Calculated Property
Cp,gas	189.29	J/mol×K	574.74	Joback Calculated Property
Cp,gas	195.68	J/mol×K	606.51	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[298.12; 412.00]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.61825e+01
Coefficient B			-3.91686e+03
Coefficient C			-5.16970e+01
Temperature range, min.			298.12
Temperature range, max.			412.00
Pvap	1.33	kPa	298.12	Calculated Property
Pvap	2.90	kPa	310.77	Calculated Property
Pvap	5.86	kPa	323.43	Calculated Property
Pvap	11.13	kPa	336.08	Calculated Property
Pvap	20.00	kPa	348.73	Calculated Property
Pvap	34.29	kPa	361.39	Calculated Property
Pvap	56.33	kPa	374.04	Calculated Property
Pvap	89.14	kPa	386.69	Calculated Property
Pvap	136.42	kPa	399.35	Calculated Property
Pvap	202.64	kPa	412.00	Calculated Property

Similar Compounds

Find more compounds similar to Butane, 1-isocyano-.

Sources

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

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