Chemical Properties of Propane, 1-bromo- (CAS 106-94-5)

InChI

InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3

InChI Key

CYNYIHKIEHGYOZ-UHFFFAOYSA-N

Formula

C3H7Br

SMILES

CCCBr

Molecular Weight¹

122.99

CAS

106-94-5

Other Names

• 1-bromopropane
• UN 2344
• n-C3H7Br
• n-propyl bromide
• propyl bromide

• 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_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).
• 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).
• NFPA Fire : NFPA Fire Rating.
• NFPA Health : NFPA Health Rating.
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• c_sound,fluid : Speed of sound in fluid (m/s).
• 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	0.2940		KDB
ΔcH°liquid	-2056.60 ± 1.40	kJ/mol	NIST
ΔfG°	-11.30	kJ/mol	Joback Calculated Property
ΔfH°gas	[-92.00; -82.93]	kJ/mol
ΔfH°gas	-82.93	kJ/mol	NIST
ΔfH°gas	-92.00 ± 1.70	kJ/mol	NIST
ΔfH°liquid	-124.40 ± 1.40	kJ/mol	NIST
ΔfusH°	8.81	kJ/mol	Joback Calculated Property
ΔvapH°	[31.90; 32.13]	kJ/mol
ΔvapH°	32.13	kJ/mol	NIST
ΔvapH°	31.90 ± 0.10	kJ/mol	NIST
ΔvapH°	31.90 ± 0.08	kJ/mol	NIST
IE	[10.18; 10.49]	eV
IE	10.18 ± 0.01	eV	NIST
IE	10.21	eV	NIST
IE	10.18	eV	NIST
IE	10.20	eV	NIST
IE	10.18	eV	NIST
IE	10.18 ± 0.01	eV	NIST
IE	Outlier 10.49 ± 0.01	eV	NIST
IE	10.18 ± 0.01	eV	NIST
log10WS	[-1.73; -1.73]
log10WS	-1.73		Aq. Solubility Prediction
log10WS	-1.73		Estimated Solubility
logPoct/wat	1.791		Crippen Calculated Property
McVol	70.630	ml/mol	McGowan Calculated Property
NFPA Fire	3		KDB
NFPA Health	2		KDB
Pc	[4798.00; 4840.00]	kPa
Pc	4840.00	kPa	KDB
Pc	4798.00 ± 20.00	kPa	NIST
Inp	[591.00; 649.00]
Inp	627.70		NIST
Inp	627.10		NIST
Inp	629.00		NIST
Inp	614.20		NIST
Inp	635.00		NIST
Inp	649.00		NIST
Inp	Outlier 591.00		NIST
Inp	597.00		NIST
Inp	601.00		NIST
Inp	606.00		NIST
Inp	610.00		NIST
Inp	640.00		NIST
Inp	627.00		NIST
Inp	632.00		NIST
Inp	618.00		NIST
Inp	614.00		NIST
Inp	614.00		NIST
Inp	636.20		NIST
Inp	624.20		NIST
Inp	632.00		NIST
Inp	614.00		NIST
Tboil	[343.70; 344.30]	K
Tboil	344.20	K	KDB
Tboil	343.90 ± 0.20	K	NIST
Tboil	343.70 ± 0.30	K	NIST
Tboil	344.00	K	NIST
Tboil	343.70 ± 0.30	K	NIST
Tboil	343.70 ± 0.30	K	NIST
Tboil	344.20	K	NIST
Tboil	343.70 ± 0.30	K	NIST
Tboil	343.70 ± 0.20	K	NIST
Tboil	343.70 ± 0.25	K	NIST
Tboil	343.70 ± 0.25	K	NIST
Tboil	343.70 ± 0.20	K	NIST
Tboil	343.70 ± 0.30	K	NIST
Tboil	343.70 ± 0.30	K	NIST
Tboil	343.70 ± 0.20	K	NIST
Tboil	344.20	K	NIST
Tboil	343.70 ± 0.20	K	NIST
Tboil	343.70 ± 0.30	K	NIST
Tboil	344.20 ± 0.50	K	NIST
Tboil	344.30 ± 0.50	K	NIST
Tboil	344.10 ± 0.30	K	NIST
Tboil	344.18 ± 0.10	K	NIST
Tboil	343.80 ± 0.20	K	NIST
Tboil	344.30 ± 0.60	K	NIST
Tboil	344.00 ± 0.50	K	NIST
Tboil	344.20 ± 0.50	K	NIST
Tboil	344.20 ± 0.50	K	NIST
Tc	[535.50; 544.50]	K
Tc	535.50	K	KDB
Tc	536.94 ± 0.10	K	NIST
Tc	544.50	K	NIST
Tfus	[162.70; 163.20]	K
Tfus	163.00	K	KDB
Tfus	162.70 ± 0.20	K	NIST
Tfus	163.00 ± 2.00	K	NIST
Tfus	163.15 ± 0.40	K	NIST
Tfus	163.20 ± 1.00	K	NIST
Vc	0.275	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[129.02; 140.20]	J/mol×K	[269.15; 326.65]
Cp,liquid	129.02	J/mol×K	269.15	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	129.44	J/mol×K	271.65	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	129.78	J/mol×K	274.15	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	130.10	J/mol×K	276.65	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	130.48	J/mol×K	279.15	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	130.86	J/mol×K	281.65	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	131.20	J/mol×K	284.15	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	131.64	J/mol×K	286.65	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	132.01	J/mol×K	289.15	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	132.46	J/mol×K	291.65	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	132.78	J/mol×K	294.15	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	133.20	J/mol×K	296.65	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	130.50	J/mol×K	298.00	NIST
Cp,liquid	140.20	J/mol×K	298.00	NIST
Cp,liquid	134.60	J/mol×K	298.15	NIST
Cp,liquid	133.64	J/mol×K	299.15	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	134.00	J/mol×K	301.65	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	134.55	J/mol×K	304.15	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	134.93	J/mol×K	306.65	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	135.35	J/mol×K	309.15	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	135.80	J/mol×K	311.65	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	136.23	J/mol×K	314.15	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	136.68	J/mol×K	316.65	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	137.16	J/mol×K	319.15	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	137.60	J/mol×K	321.65	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	138.11	J/mol×K	324.15	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	138.55	J/mol×K	326.65	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
ΔvapH	[29.30; 35.50]	kJ/mol	[282.00; 352.00]
ΔvapH	35.50	kJ/mol	282.00	NIST
ΔvapH	32.60	kJ/mol	288.00	NIST
ΔvapH	34.10	kJ/mol	309.00	NIST
ΔvapH	31.10 ± 0.10	kJ/mol	322.00	NIST
ΔvapH	31.80	kJ/mol	322.50	NIST
ΔvapH	30.50 ± 0.10	kJ/mol	332.00	NIST
ΔvapH	30.10 ± 0.10	kJ/mol	339.00	NIST
ΔvapH	29.90	kJ/mol	341.80	NIST
ΔvapH	33.60	kJ/mol	344.20	KDB
ΔvapH	29.84	kJ/mol	344.20	NIST
ΔvapH	29.30 ± 0.10	kJ/mol	352.00	NIST
ρl	[1344.50; 1431.10]	kg/m3	[243.15; 298.15]
ρl	1431.10	kg/m3	243.15	Density of Some 1-Bromoalkanes within the Temperature Range from (243.15 to 423.15) K
ρl	1415.40	kg/m3	253.15	Density of Some 1-Bromoalkanes within the Temperature Range from (243.15 to 423.15) K
ρl	1400.30	kg/m3	263.15	Density of Some 1-Bromoalkanes within the Temperature Range from (243.15 to 423.15) K
ρl	1385.30	kg/m3	273.15	Density of Some 1-Bromoalkanes within the Temperature Range from (243.15 to 423.15) K
ρl	1369.40	kg/m3	283.15	Density of Some 1-Bromoalkanes within the Temperature Range from (243.15 to 423.15) K
ρl	1344.50	kg/m3	298.15	Density of Some 1-Bromoalkanes within the Temperature Range from (243.15 to 423.15) K
csound,fluid	[674.94; 1144.84]	m/s	[243.76; 383.47]
csound,fluid	1144.84	m/s	243.76	Speed of Sound, Densities, and Isentropic Compressibilities of Liquid 1-Bromoalkanes at Temperatures from (243.15 to 423.15) K
csound,fluid	1075.02	m/s	263.38	Speed of Sound, Densities, and Isentropic Compressibilities of Liquid 1-Bromoalkanes at Temperatures from (243.15 to 423.15) K
csound,fluid	1040.10	m/s	273.31	Speed of Sound, Densities, and Isentropic Compressibilities of Liquid 1-Bromoalkanes at Temperatures from (243.15 to 423.15) K
csound,fluid	1005.51	m/s	283.26	Speed of Sound, Densities, and Isentropic Compressibilities of Liquid 1-Bromoalkanes at Temperatures from (243.15 to 423.15) K
csound,fluid	971.22	m/s	293.22	Speed of Sound, Densities, and Isentropic Compressibilities of Liquid 1-Bromoalkanes at Temperatures from (243.15 to 423.15) K
csound,fluid	954.05	m/s	298.21	Speed of Sound, Densities, and Isentropic Compressibilities of Liquid 1-Bromoalkanes at Temperatures from (243.15 to 423.15) K
csound,fluid	870.16	m/s	323.21	Speed of Sound, Densities, and Isentropic Compressibilities of Liquid 1-Bromoalkanes at Temperatures from (243.15 to 423.15) K
csound,fluid	804.19	m/s	343.21	Speed of Sound, Densities, and Isentropic Compressibilities of Liquid 1-Bromoalkanes at Temperatures from (243.15 to 423.15) K
csound,fluid	739.38	m/s	363.23	Speed of Sound, Densities, and Isentropic Compressibilities of Liquid 1-Bromoalkanes at Temperatures from (243.15 to 423.15) K
csound,fluid	674.94	m/s	383.47	Speed of Sound, Densities, and Isentropic Compressibilities of Liquid 1-Bromoalkanes at Temperatures from (243.15 to 423.15) K

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[83.11; 183.17]	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			8.35200e+00
Coefficient B			3.27020e-01
Coefficient C			-2.10800e-04
Coefficient D			5.86000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	83.11	J/mol×K	273.00	Calculated Property
Cp,gas	100.26	J/mol×K	353.78	Calculated Property
Cp,gas	115.46	J/mol×K	434.56	Calculated Property
Cp,gas	128.91	J/mol×K	515.33	Calculated Property
Cp,gas	140.80	J/mol×K	596.11	Calculated Property
Cp,gas	151.30	J/mol×K	676.89	Calculated Property
Cp,gas	160.60	J/mol×K	757.67	Calculated Property
Cp,gas	168.89	J/mol×K	838.44	Calculated Property
Cp,gas	176.35	J/mol×K	919.22	Calculated Property
Cp,gas	183.17	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0057386; 0.0002696]	Pa×s	[163.01; 377.29]	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			-1.05449e+01
Coefficient B			8.77700e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			163.01
Temperature range, max.			377.29
η	0.0057386	Pa×s	163.01	Calculated Property
η	0.0028893	Pa×s	186.82	Calculated Property
η	0.0016989	Pa×s	210.63	Calculated Property
η	0.0011127	Pa×s	234.44	Calculated Property
η	0.0007879	Pa×s	258.24	Calculated Property
η	0.0005914	Pa×s	282.05	Calculated Property
η	0.0004642	Pa×s	305.86	Calculated Property
η	0.0003773	Pa×s	329.67	Calculated Property
η	0.0003153	Pa×s	353.48	Calculated Property
η	0.0002696	Pa×s	377.29	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 204.59]	kPa	[250.44; 367.04]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.48914e+01
Coefficient B			-3.23755e+03
Coefficient C			-2.87500e+01
Temperature range, min.			250.44
Temperature range, max.			367.04
Pvap	1.33	kPa	250.44	Calculated Property
Pvap	2.99	kPa	263.40	Calculated Property
Pvap	6.15	kPa	276.35	Calculated Property
Pvap	11.77	kPa	289.31	Calculated Property
Pvap	21.21	kPa	302.26	Calculated Property
Pvap	36.22	kPa	315.22	Calculated Property
Pvap	59.07	kPa	328.17	Calculated Property
Pvap	92.50	kPa	341.13	Calculated Property
Pvap	139.76	kPa	354.08	Calculated Property
Pvap	204.59	kPa	367.04	Calculated Property
Pvap	[9.86e-05; 5078.44]	kPa	[163.15; 544.00]	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			7.52251e+01
Coefficient B			-6.17233e+03
Coefficient C			-9.19579e+00
Coefficient D			8.71010e-06
Coefficient E			0.00000e+00
Temperature range, min.			163.15
Temperature range, max.			544.00
Pvap	9.86e-05	kPa	163.15	Calculated Property
Pvap	0.03	kPa	205.47	Calculated Property
Pvap	1.17	kPa	247.78	Calculated Property
Pvap	12.67	kPa	290.10	Calculated Property
Pvap	68.39	kPa	332.42	Calculated Property
Pvap	240.03	kPa	374.73	Calculated Property
Pvap	639.07	kPa	417.05	Calculated Property
Pvap	1419.00	kPa	459.37	Calculated Property
Pvap	2793.27	kPa	501.68	Calculated Property
Pvap	5078.44	kPa	544.00	Calculated Property
Pvap	[0.13; 100.74]	kPa	[220.00; 344.00]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.41898e+01
Coefficient B			-2.90088e+03
Coefficient C			-4.11080e+01
Reference			Stull, 1947
Temperature range, min.			220.00
Temperature range, max.			344.00
Pvap	0.13	kPa	220.00	Calculated Property
Pvap	0.42	kPa	233.78	Calculated Property
Pvap	1.15	kPa	247.56	Calculated Property
Pvap	2.77	kPa	261.33	Calculated Property
Pvap	6.01	kPa	275.11	Calculated Property
Pvap	11.97	kPa	288.89	Calculated Property
Pvap	22.18	kPa	302.67	Calculated Property
Pvap	38.63	kPa	316.44	Calculated Property
Pvap	63.82	kPa	330.22	Calculated Property
Pvap	100.74	kPa	344.00	Calculated Property

Similar Compounds

Find more compounds similar to Propane, 1-bromo-.

Mixtures

• Propane, 1-bromo- + Tetradecanoic acid
• Propane, 1-bromo- + n-Hexadecanoic acid
• Octadecanoic acid + Propane, 1-bromo-
• Propane, 1-bromo- + Dodecanoic acid, 1,2,3-propanetriyl ester
• Tetradecanoic acid, 1,2,3-propanetriyl ester + Propane, 1-bromo-
• Propane, 1-bromo- + Tripalmitin
• Propane, 1-bromo- + Tristearin
• Dodecanoic acid + Propane, 1-bromo-

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
• Solubilities of Fatty Acids and Triglycerides in 1-Bromopropane
• Density of Some 1-Bromoalkanes within the Temperature Range from (243.15 to 423.15) K
• Solubilities of Lauric Acid in n-Hexane, Acetone, Propanol, 2-Propanol, 1-Bromopropane, and Trichloroethylene from (279.0 to 315.3) K
• Speed of Sound, Densities, and Isentropic Compressibilities of Liquid 1-Bromoalkanes at Temperatures from (243.15 to 423.15) K
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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