Chemical Properties of Propane, 1-isocyano- (CAS 627-36-1)

InChI

InChI=1S/C4H7N/c1-3-4-5-2/h3-4H2,1H3

InChI Key

FFDKYFGBIQQMSR-UHFFFAOYSA-N

Formula

C4H7N

SMILES

[C-]#[N+]CCC

Molecular Weight¹

69.11

CAS

627-36-1

Other Names

• Propyl isocyanide
• Propylisonitrile
• n-C3H7NC
• n-Propyl isocyanide

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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	0.1816		Relay (... Calculated Property
PAff	856.80	kJ/mol	NIST
BasG	824.30	kJ/mol	NIST
ΔcH°liquid	-2673.00	kJ/mol	NIST
ΔfG°	115.98	kJ/mol	Joback Calculated Property
ΔfH°gas	103.20	kJ/mol	Relay (... Calculated Property
ΔfusH°	7.62	kJ/mol	Joback Calculated Property
ΔvapH°	31.84	kJ/mol	Relay (... Calculated Property
IE	[11.10; 11.80]	eV
IE	11.80 ± 0.25	eV	NIST
IE	11.33	eV	NIST
IE	11.10 ± 0.10	eV	NIST
log10WS	-0.36		Relay (... Calculated Property
logPoct/wat	1.316		Crippen Calculated Property
McVol	68.600	ml/mol	McGowan Calculated Property
Pc	3777.68	kPa	Joback Calculated Property
Tboil	342.75	K	Relay (... Calculated Property
Tc	450.39	K	Relay (... Calculated Property
Tfus	184.34	K	Relay (... Calculated Property
Vc	0.240	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[118.15; 152.98]	J/mol×K	[393.00; 585.13]
Cp,gas	118.15	J/mol×K	393.00	Joback Calculated Property
Cp,gas	124.57	J/mol×K	425.02	Joback Calculated Property
Cp,gas	130.74	J/mol×K	457.04	Joback Calculated Property
Cp,gas	136.66	J/mol×K	489.07	Joback Calculated Property
Cp,gas	142.33	J/mol×K	521.09	Joback Calculated Property
Cp,gas	147.77	J/mol×K	553.11	Joback Calculated Property
Cp,gas	152.98	J/mol×K	585.13	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[277.72; 420.21]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.35303e+01
Coefficient B			-3.08704e+03
Coefficient C			-4.46080e+01
Temperature range, min.			277.72
Temperature range, max.			420.21
Pvap	1.33	kPa	277.72	Calculated Property
Pvap	3.09	kPa	293.55	Calculated Property
Pvap	6.50	kPa	309.38	Calculated Property
Pvap	12.54	kPa	325.22	Calculated Property
Pvap	22.57	kPa	341.05	Calculated Property
Pvap	38.27	kPa	356.88	Calculated Property
Pvap	61.66	kPa	372.71	Calculated Property
Pvap	95.08	kPa	388.55	Calculated Property
Pvap	141.13	kPa	404.38	Calculated Property
Pvap	202.63	kPa	420.21	Calculated Property

Similar Compounds

Find more compounds similar to Propane, 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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