Chemical Properties of Methane, triiodo- (CAS 75-47-8)

InChI

InChI=1S/CHI3/c2-1(3)4/h1H

InChI Key

OKJPEAGHQZHRQV-UHFFFAOYSA-N

Formula

CHI3

SMILES

IC(I)I

Molecular Weight¹

393.73

CAS

75-47-8

Other Names

• CARBON TRIIODIDE
• CHI3
• IODOFORM
• Jodoform
• NCI-C04568
• Triiodomethane
• Trijodmethane

• ω : Acentric Factor.
• 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).
• η : Dynamic viscosity (Pa×s).
• 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_subH : Enthalpy of sublimation at a given temperature (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).
• I_np : Non-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).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.1930		KDB
ΔcH°solid	-717.50 ± 0.60	kJ/mol	NIST
ΔfG°	129.46	kJ/mol	Joback Calculated Property
ΔfH°gas	161.36	kJ/mol	Joback Calculated Property
ΔfH°solid	181.10 ± 1.00	kJ/mol	NIST
ΔfusH°	8.04	kJ/mol	Joback Calculated Property
ΔvapH°	45.55	kJ/mol	Joback Calculated Property
IE	[9.21; 9.25]	eV
IE	9.23 ± 0.02	eV	NIST
IE	9.25 ± 0.02	eV	NIST
IE	9.21	eV	NIST
log10WS	-4.19		Crippen Calculated Property
logPoct/wat	2.575		Crippen Calculated Property
McVol	102.410	ml/mol	McGowan Calculated Property
Pc	5310.00	kPa	KDB
Inp	[1173.00; 1221.00]
Inp	1196.00		NIST
Inp	1221.00		NIST
Inp	1173.00		NIST
Tboil	491.20	K	KDB
Tc	794.60	K	KDB
Tfus	[391.25; 398.00]	K
Tfus	396.00	K	KDB
Tfus	394.25 ± 0.40	K	NIST
Tfus	398.00 ± 0.60	K	NIST
Tfus	391.25 ± 0.50	K	NIST
Tfus	392.15 ± 1.50	K	NIST
Tfus	392.00 ± 2.00	K	NIST
Vc	0.349	m3/kmol	KDB
Zc	0.2809030		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[91.75; 96.28]	J/mol×K	[501.26; 810.89]
Cp,gas	91.75	J/mol×K	501.26	Joback Calculated Property
Cp,gas	93.23	J/mol×K	552.87	Joback Calculated Property
Cp,gas	94.29	J/mol×K	604.47	Joback Calculated Property
Cp,gas	95.02	J/mol×K	656.08	Joback Calculated Property
Cp,gas	95.53	J/mol×K	707.68	Joback Calculated Property
Cp,gas	95.92	J/mol×K	759.29	Joback Calculated Property
Cp,gas	96.28	J/mol×K	810.89	Joback Calculated Property
Cp,solid	157.50	J/mol×K	298.15	NIST
η	[0.0004521; 0.0073475]	Pa×s	[260.21; 501.26]
η	0.0073475	Pa×s	260.21	Joback Calculated Property
η	0.0033835	Pa×s	300.38	Joback Calculated Property
η	0.0018709	Pa×s	340.56	Joback Calculated Property
η	0.0011723	Pa×s	380.74	Joback Calculated Property
η	0.0008031	Pa×s	420.91	Joback Calculated Property
η	0.0005877	Pa×s	461.09	Joback Calculated Property
η	0.0004521	Pa×s	501.26	Joback Calculated Property
ΔsubH	69.90	kJ/mol	336.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 268.67]	kPa	[390.93; 518.96]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.29169e+01
Coefficient B			-2.23182e+03
Coefficient C			-2.14211e+02
Temperature range, min.			390.93
Temperature range, max.			518.96
Pvap	1.33	kPa	390.93	Calculated Property
Pvap	3.42	kPa	405.16	Calculated Property
Pvap	7.68	kPa	419.38	Calculated Property
Pvap	15.55	kPa	433.61	Calculated Property
Pvap	28.90	kPa	447.83	Calculated Property
Pvap	50.00	kPa	462.06	Calculated Property
Pvap	81.52	kPa	476.28	Calculated Property
Pvap	126.39	kPa	490.51	Calculated Property
Pvap	187.70	kPa	504.73	Calculated Property
Pvap	268.67	kPa	518.96	Calculated Property
Pvap	[13.57; 5375.81]	kPa	[410.15; 794.55]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.15223e+01
Coefficient B			-4.73904e+03
Coefficient C			4.32434e-01
Coefficient D			2.28188e-07
Temperature range, min.			410.15
Temperature range, max.			794.55
Pvap	13.57	kPa	410.15	Calculated Property
Pvap	42.48	kPa	452.86	Calculated Property
Pvap	109.86	kPa	495.57	Calculated Property
Pvap	245.62	kPa	538.28	Calculated Property
Pvap	490.25	kPa	580.99	Calculated Property
Pvap	894.19	kPa	623.71	Calculated Property
Pvap	1516.42	kPa	666.42	Calculated Property
Pvap	2422.82	kPa	709.13	Calculated Property
Pvap	3684.42	kPa	751.84	Calculated Property
Pvap	5375.81	kPa	794.55	Calculated Property

Similar Compounds

Find more compounds similar to Methane, triiodo-.

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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