Chemical Properties of Methane, tribromo- (CAS 75-25-2)

InChI

InChI=1S/CHBr3/c2-1(3)4/h1H

InChI Key

DIKBFYAXUHHXCS-UHFFFAOYSA-N

Formula

CHBr3

SMILES

BrC(Br)Br

Molecular Weight¹

252.73

CAS

75-25-2

Other Names

• Bromoforme
• Bromoformio
• CHBr3
• Methenyl tribromide
• NCI-C55130
• NSC 8019
• REFRIGERANT-20B3
• Rcra waste number U225
• Tribrommethaan
• Tribrommethan
• Tribromometan
• Tribromomethane [R20B3]
• UN 2515
• bromoform
• tribromomethane

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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_fusH : Enthalpy of fusion at a given temperature (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).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• γ : Surface Tension (N/m).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.1958		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ΔcH°liquid	-545.80 ± 3.30	kJ/mol	NIST
ΔfH°gas	[47.40; 55.40]	kJ/mol
ΔfH°gas	47.40 ± 1.30	kJ/mol	Active Thermochemical Tables 1.112, gas-phase enthalpies of formation Compiled value
ΔfH°gas	55.40 ± 3.30	kJ/mol	NIST
ΔfH°liquid	9.40 ± 3.30	kJ/mol	NIST
ΔfusH°	10.68	kJ/mol	Joback Calculated Property
ΔvapH°	[46.05; 46.10]	kJ/mol
ΔvapH°	46.06	kJ/mol	NIST
ΔvapH°	46.05 ± 0.10	kJ/mol	NIST
ΔvapH°	46.10 ± 0.10	kJ/mol	NIST
IE	[10.47; 10.70]	eV
IE	10.50 ± 0.02	eV	NIST
IE	10.50	eV	NIST
IE	Outlier 10.70 ± 0.30	eV	NIST
IE	10.48 ± 0.02	eV	NIST
IE	10.51 ± 0.02	eV	NIST
IE	10.47	eV	NIST
IE	10.47	eV	NIST
IE	10.47	eV	NIST
log10WS	[-1.91; -1.91]
log10WS	-1.91		Aq. Solubility Prediction
log10WS	-1.91		Estimated Solubility
logPoct/wat	2.455		Crippen Calculated Property
McVol	77.450	ml/mol	McGowan Calculated Property
Pc	5643.80	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Inp	[845.20; 911.00]
Inp	870.00		NIST
Inp	882.00		NIST
Inp	859.00		NIST
Inp	895.00		NIST
Inp	873.10		NIST
Inp	845.20		NIST
Inp	892.10		NIST
Inp	852.70		NIST
Inp	892.00		NIST
Inp	853.00		NIST
Inp	877.00		NIST
Inp	875.00		NIST
Inp	875.00		NIST
Inp	Outlier 911.00		NIST
Inp	852.00		NIST
Inp	852.00		NIST
Inp	852.00		NIST
Inp	855.00		NIST
Inp	860.00		NIST
Inp	853.00		NIST
Ip	[1407.00; 1467.06]
Ip	1456.67		NIST
Ip	1467.06		NIST
Ip	1441.60		NIST
Ip	1418.00		NIST
Ip	1407.00		NIST
Ip	1407.00		NIST
Ip	1456.67		NIST
Tboil	[420.30; 423.65]	K
Tboil	422.33	K	KDB
Tboil	422.00	K	NIST
Tboil	422.15 ± 0.60	K	NIST
Tboil	422.30	K	NIST
Tboil	422.28 ± 0.12	K	NIST
Tboil	422.70 ± 0.50	K	NIST
Tboil	422.65 ± 0.30	K	NIST
Tboil	422.65 ± 0.35	K	NIST
Tboil	422.70 ± 0.40	K	NIST
Tboil	423.00 ± 0.50	K	NIST
Tboil	422.50 ± 0.50	K	NIST
Tboil	421.35 ± 0.60	K	NIST
Tboil	Outlier 420.30 ± 0.50	K	NIST
Tboil	423.65 ± 1.50	K	NIST
Tc	685.00	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tfus	[267.65; 281.65]	K
Tfus	281.65	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	281.20	K	KDB
Tfus	281.65	K	Aq. Solubility Prediction
Tfus	281.45 ± 0.30	K	NIST
Tfus	281.00 ± 1.50	K	NIST
Tfus	280.85 ± 0.20	K	NIST
Tfus	281.20 ± 0.20	K	NIST
Tfus	280.65 ± 0.25	K	NIST
Tfus	Outlier 267.65 ± 8.00	K	NIST
Ttriple	281.84 ± 0.02	K	NIST
Vc	0.288	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[130.50; 138.00]	J/mol×K	[290.00; 360.00]
Cp,liquid	134.00	J/mol×K	290.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	130.50	J/mol×K	298.00	NIST
Cp,liquid	135.10	J/mol×K	298.00	NIST
Cp,liquid	134.00	J/mol×K	298.15	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	134.00	J/mol×K	300.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	135.00	J/mol×K	310.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	136.00	J/mol×K	320.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	136.00	J/mol×K	330.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	137.00	J/mol×K	340.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	138.00	J/mol×K	350.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	138.00	J/mol×K	360.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
ΔfusH	[11.05; 11.10]	kJ/mol	[281.50; 281.84]
ΔfusH	11.10	kJ/mol	281.50	NIST
ΔfusH	11.09	kJ/mol	281.50	NIST
ΔfusH	11.05	kJ/mol	281.84	NIST
ΔvapH	[39.66; 44.00]	kJ/mol	[338.00; 422.30]
ΔvapH	44.00	kJ/mol	338.00	NIST
ΔvapH	42.30	kJ/mol	366.00	NIST
ΔvapH	39.66	kJ/mol	422.30	NIST
ΔfusS	39.20	J/mol×K	281.84	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[68.34; 98.67]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			2.48700e+01
Coefficient B			2.19300e-01
Coefficient C			-2.48000e-04
Coefficient D			1.02500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	68.34	J/mol×K	273.00	Calculated Property
Cp,gas	75.95	J/mol×K	353.78	Calculated Property
Cp,gas	81.75	J/mol×K	434.56	Calculated Property
Cp,gas	86.05	J/mol×K	515.33	Calculated Property
Cp,gas	89.18	J/mol×K	596.11	Calculated Property
Cp,gas	91.47	J/mol×K	676.89	Calculated Property
Cp,gas	93.24	J/mol×K	757.67	Calculated Property
Cp,gas	94.81	J/mol×K	838.44	Calculated Property
Cp,gas	96.52	J/mol×K	919.22	Calculated Property
Cp,gas	98.67	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0025156; 0.0003736]	Pa×s	[281.21; 479.50]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.05967e+01
Coefficient B			1.29676e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			281.21
Temperature range, max.			479.50
η	0.0025156	Pa×s	281.21	Calculated Property
η	0.0017994	Pa×s	303.24	Calculated Property
η	0.0013469	Pa×s	325.27	Calculated Property
η	0.0010459	Pa×s	347.30	Calculated Property
η	0.0008371	Pa×s	369.34	Calculated Property
η	0.0006869	Pa×s	391.37	Calculated Property
η	0.0005757	Pa×s	413.40	Calculated Property
η	0.0004912	Pa×s	435.43	Calculated Property
η	0.0004256	Pa×s	457.47	Calculated Property
η	0.0003736	Pa×s	479.50	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.24; 204.85]	kPa	[281.20; 450.86]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.41922e+01
Coefficient B			-3.48160e+03
Coefficient C			-5.83450e+01
Temperature range, min.			281.20
Temperature range, max.			450.86
Pvap	0.24	kPa	281.20	Calculated Property
Pvap	0.81	kPa	300.05	Calculated Property
Pvap	2.29	kPa	318.90	Calculated Property
Pvap	5.65	kPa	337.75	Calculated Property
Pvap	12.42	kPa	356.60	Calculated Property
Pvap	24.86	kPa	375.46	Calculated Property
Pvap	46.02	kPa	394.31	Calculated Property
Pvap	79.82	kPa	413.16	Calculated Property
Pvap	130.94	kPa	432.01	Calculated Property
Pvap	204.85	kPa	450.86	Calculated Property
Pvap	[0.25; 6041.64]	kPa	[281.20; 696.00]	KDB Vapor Pressure Data
Equation			ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K
Coefficient A			7.41982e+01
Coefficient B			-7.67473e+03
Coefficient C			-8.62341e+00
Coefficient D			4.08397e-06
Coefficient E			0.00000e+00
Temperature range, min.			281.20
Temperature range, max.			696.00
Pvap	0.25	kPa	281.20	Calculated Property
Pvap	3.49	kPa	327.29	Calculated Property
Pvap	23.10	kPa	373.38	Calculated Property
Pvap	94.05	kPa	419.47	Calculated Property
Pvap	276.64	kPa	465.56	Calculated Property
Pvap	650.39	kPa	511.64	Calculated Property
Pvap	1305.88	kPa	557.73	Calculated Property
Pvap	2342.33	kPa	603.82	Calculated Property
Pvap	3873.60	kPa	649.91	Calculated Property
Pvap	6041.64	kPa	696.00	Calculated Property
Pvap	[0.96; 24.22]	kPa	[303.00; 374.00]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.36207e+01
Coefficient B			-3.13897e+03
Coefficient C			-7.31480e+01
Reference			Simnikov, 1941
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			303.00
Temperature range, max.			374.00
Pvap	0.96	kPa	303.00	Calculated Property
Pvap	1.52	kPa	310.89	Calculated Property
Pvap	2.32	kPa	318.78	Calculated Property
Pvap	3.45	kPa	326.67	Calculated Property
Pvap	5.02	kPa	334.56	Calculated Property
Pvap	7.13	kPa	342.44	Calculated Property
Pvap	9.94	kPa	350.33	Calculated Property
Pvap	13.59	kPa	358.22	Calculated Property
Pvap	18.29	kPa	366.11	Calculated Property
Pvap	24.22	kPa	374.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
γ	[0.05; 0.03]	N/m	[281.15; 422.15]	Jasper (1972), surface tension of pure liquid compounds Compiled value
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is γ in N/m, T in K
Coefficient A			8.38680e-02
Coefficient B			-1.30800e-04
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			281.15
Temperature range, max.			422.15
γ	0.05	N/m	281.15	Calculated Property
γ	0.05	N/m	296.82	Calculated Property
γ	0.04	N/m	312.48	Calculated Property
γ	0.04	N/m	328.15	Calculated Property
γ	0.04	N/m	343.82	Calculated Property
γ	0.04	N/m	359.48	Calculated Property
γ	0.03	N/m	375.15	Calculated Property
γ	0.03	N/m	390.82	Calculated Property
γ	0.03	N/m	406.48	Calculated Property
γ	0.03	N/m	422.15	Calculated Property

Similar Compounds

Find more compounds similar to Methane, tribromo-.

Mixtures

• Methane, tribromo- + Water

Sources

• KDB Vapor Pressure Data
• Active Thermochemical Tables 1.112, gas-phase enthalpies of formation ChEDL chemicals 1.5.2, from Active Thermochemical Tables (ATcT), version 1.112, Argonne National Laboratory; Ruscic, B. et al. Active Thermochemical Tables: Thermochemistry for the 21st Century. J. Phys.: Conf. Ser. 2005, 16, 561.
• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Jasper (1972), surface tension of pure liquid compounds ChEDL chemicals 1.5.2, from Jasper, J. J. The Surface Tension of Pure Liquid Compounds. J. Phys. Chem. Ref. Data 1972, 1, 841-1010 (as transcribed in Lange's Handbook).
• PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
• Crippen Method
• Solubility of Halogenated Hydrocarbons in Hydrophobic Ionic Liquids: Experimental Study and COSMO-RS Prediction
• Determination of Henry's Law Constants Using Internal Standards with Benchmark Values
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure
• Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD

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