Chemical Properties of Methane, isocyanato- (CAS 624-83-9)

InChI

InChI=1S/C2H3NO/c1-3-2-4/h1H3

InChI Key

HAMGRBXTJNITHG-UHFFFAOYSA-N

Formula

C2H3NO

SMILES

CN=C=O

Molecular Weight¹

57.05

CAS

624-83-9

Other Names

• CH3NCO
• ISO-CYANOMETHANE
• ISOCYANATOMETHANE
• Isocyanate de methyle
• Isocyanic acid, methyl ester
• METHYL CARBONIMIDE
• MIC
• Methyl isocyanat
• Methyl isocyanate
• Methylisocyanaat
• Methylisokyanat
• Metil isocianato
• NSC 64323
• Rcra waste number P064
• TL 1450
• UN 2480

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (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).
• P_vap : Vapor pressure (kPa).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_triple : Triple Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.2780		KDB
PAff	764.40	kJ/mol	NIST
BasG	732.00	kJ/mol	NIST
ΔfH°gas	-90.00	kJ/mol	KDB
ΔvapH°	29.58	kJ/mol	Joback Calculated Property
IE	10.67 ± 0.02	eV	NIST
log10WS	-4.16		Crippen Calculated Property
logPoct/wat	-0.048		Crippen Calculated Property
McVol	46.290	ml/mol	McGowan Calculated Property
Pc	5570.00	kPa	KDB
Inp	[96.70; 502.00]
Inp	502.00		NIST
Inp	96.70		NIST
Inp	502.00		NIST
Tboil	[312.00; 312.25]	K
Tboil	312.00	K	KDB
Tboil	312.25	K	NIST
Tc	491.00	K	KDB
Ttriple	178.46	K	Entropy...

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[29.90; 31.70]	kJ/mol	[281.50; 286.50]
ΔvapH	31.70	kJ/mol	281.50	NIST
ΔvapH	29.90	kJ/mol	286.50	NIST
ρl	958.00	kg/m3	293.00	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[233.02; 332.80]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.34035e+01
Coefficient B			-2.10799e+03
Coefficient C			-7.23020e+01
Temperature range, min.			233.02
Temperature range, max.			332.80
Pvap	1.33	kPa	233.02	Calculated Property
Pvap	3.11	kPa	244.11	Calculated Property
Pvap	6.54	kPa	255.19	Calculated Property
Pvap	12.63	kPa	266.28	Calculated Property
Pvap	22.73	kPa	277.37	Calculated Property
Pvap	38.52	kPa	288.45	Calculated Property
Pvap	61.99	kPa	299.54	Calculated Property
Pvap	95.44	kPa	310.63	Calculated Property
Pvap	141.41	kPa	321.71	Calculated Property
Pvap	202.63	kPa	332.80	Calculated Property
Pvap	[1.02; 5244.85]	kPa	[230.00; 505.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.55185e+02
Coefficient B			-8.94924e+03
Coefficient C			-2.15877e+01
Coefficient D			2.14699e-05
Temperature range, min.			230.00
Temperature range, max.			505.00
Pvap	1.02	kPa	230.00	Calculated Property
Pvap	9.09	kPa	260.56	Calculated Property
Pvap	43.83	kPa	291.11	Calculated Property
Pvap	140.88	kPa	321.67	Calculated Property
Pvap	345.33	kPa	352.22	Calculated Property
Pvap	705.54	kPa	382.78	Calculated Property
Pvap	1276.20	kPa	413.33	Calculated Property
Pvap	2131.89	kPa	443.89	Calculated Property
Pvap	3389.83	kPa	474.44	Calculated Property
Pvap	5244.85	kPa	505.00	Calculated Property

Similar Compounds

Find more compounds similar to Methane, isocyanato-.

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Entropy, related thermodynamic properties, and structure of methylisocyanate
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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