Chemical Properties of Methyl isocyanide (CAS 593-75-9)

InChI

InChI=1S/C2H3N/c1-3-2/h1H3

InChI Key

ZRKSVHFXTRFQFL-UHFFFAOYSA-N

Formula

C2H3N

SMILES

[C-]#[N+]C

Molecular Weight¹

41.05

CAS

593-75-9

Other Names

• Methane, isocyano-
• Isocyanomethane
• Methyl isonitrile
• CH3NC

• 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_fH°_liquid : Liquid 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).
• I : Polar retention indices.
• 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
PAff	839.10	kJ/mol	NIST
BasG	[806.60; 848.60]	kJ/mol
BasG	806.60	kJ/mol	NIST
BasG	848.60 ± 5.30	kJ/mol	NIST
ΔcH°liquid	[-1333.00; -1333.00]	kJ/mol
ΔcH°liquid	-1333.00	kJ/mol	NIST
ΔcH°liquid	-1333.00	kJ/mol	NIST
ΔfG°	99.14	kJ/mol	Joback Calculated Property
ΔfH°gas	[142.80; 163.50]	kJ/mol
ΔfH°gas	163.50 ± 7.20	kJ/mol	NIST
ΔfH°gas	142.80	kJ/mol	NIST
ΔfH°liquid	[112.00; 132.70]	kJ/mol
ΔfH°liquid	132.70 ± 7.30	kJ/mol	NIST
ΔfH°liquid	112.00	kJ/mol	NIST
ΔfusH°	2.44	kJ/mol	Joback Calculated Property
ΔvapH°	[30.80; 30.80]	kJ/mol
ΔvapH°	30.80 ± 1.00	kJ/mol	NIST
ΔvapH°	30.80	kJ/mol	NIST
IE	[11.24; 11.83]	eV
IE	11.53 ± 0.04	eV	NIST
IE	11.50 ± 0.25	eV	NIST
IE	11.24	eV	NIST
IE	11.24	eV	NIST
IE	Outlier 11.83	eV	NIST
IE	11.27	eV	NIST
IE	11.32	eV	NIST
log10WS	-2.43		Crippen Calculated Property
logPoct/wat	0.535		Crippen Calculated Property
McVol	40.420	ml/mol	McGowan Calculated Property
Pc	4856.20	kPa	Joback Calculated Property
I	[1002.00; 1010.00]
I	1010.00		NIST
I	1002.00		NIST
I	1010.00		NIST
Tboil	347.24	K	Joback Calculated Property
Tc	541.37	K	Joback Calculated Property
Tfus	228.15 ± 3.00	K	NIST
Vc	0.173	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[56.48; 72.87]	J/mol×K	[347.24; 541.37]
Cp,gas	56.48	J/mol×K	347.24	Joback Calculated Property
Cp,gas	59.46	J/mol×K	379.59	Joback Calculated Property
Cp,gas	62.33	J/mol×K	411.95	Joback Calculated Property
Cp,gas	65.11	J/mol×K	444.30	Joback Calculated Property
Cp,gas	67.79	J/mol×K	476.66	Joback Calculated Property
Cp,gas	70.38	J/mol×K	509.01	Joback Calculated Property
Cp,gas	72.87	J/mol×K	541.37	Joback Calculated Property

Similar Compounds

Find more compounds similar to Methyl isocyanide.

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.