Chemical Properties of Propane, 1-bromo-3-chloro- (CAS 109-70-6)

InChI

InChI=1S/C3H6BrCl/c4-2-1-3-5/h1-3H2

InChI Key

MFESCIUQSIBMSM-UHFFFAOYSA-N

Formula

C3H6BrCl

SMILES

ClCCCBr

Molecular Weight¹

157.44

CAS

109-70-6

Other Names

• 1,3-Chbp
• 1-Chloro-3-bromopropane
• 1-bromo-3-chloropropane
• 3-Bromo-1-chloropropane
• 3-Bromopropyl chloride
• 3-Chloro-1-bromopropane
• 3-Chloropropyl bromide
• NSC 9183
• Trimethylene bromide chloride
• Trimethylene chlorobromide
• UN 2688
• «omega»-Chlorobromopropane

• ω : Acentric Factor.
• 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_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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3982		Relay (1.0) Calculated Property
ΔfH°gas	-104.58	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.01	kJ/mol	Joback Calculated Property
ΔvapH°	[44.04; 44.06]	kJ/mol
ΔvapH°	44.06	kJ/mol	NIST
ΔvapH°	44.04 ± 0.10	kJ/mol	NIST
IE	10.37	eV	Relay (1.0) Calculated Property
log10WS	-1.85		Aq. Solubility Prediction
logPoct/wat	2.010		Crippen Calculated Property
McVol	82.870	ml/mol	McGowan Calculated Property
Pc	4602.62	kPa	Joback Calculated Property
Inp	[830.00; 869.50]
Inp	869.00		NIST
Inp	830.00		NIST
Inp	841.00		NIST
Inp	869.50		NIST
Inp	849.20		NIST
Inp	830.00		NIST
Inp	869.00		NIST
Tboil	[415.50; 417.50]	K
Tboil	417.50 ± 0.50	K	NIST
Tboil	416.50	K	NIST
Tboil	416.00	K	NIST
Tboil	416.50	K	NIST
Tboil	415.50 ± 0.50	K	NIST
Tboil	417.00 ± 4.00	K	NIST
Tc	615.49	K	Relay (1.0) Calculated Property
Tfus	[214.20; 214.30]	K
Tfus	214.20	K	Aq. Solubility Prediction
Tfus	214.30 ± 0.02	K	NIST
Vc	0.307	m3/kmol	Relay (1.0) Calculated Property

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	[162.24; 171.51]	J/mol×K	[285.15; 355.15]
Cp,liquid	162.24	J/mol×K	285.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	162.41	J/mol×K	286.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	162.57	J/mol×K	288.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	162.74	J/mol×K	289.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	162.92	J/mol×K	291.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	163.09	J/mol×K	292.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	163.26	J/mol×K	294.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	163.44	J/mol×K	295.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	163.62	J/mol×K	297.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	163.73	J/mol×K	298.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	163.79	J/mol×K	298.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	163.97	J/mol×K	300.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	164.15	J/mol×K	301.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	164.34	J/mol×K	303.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	164.52	J/mol×K	304.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	164.71	J/mol×K	306.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	164.89	J/mol×K	307.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	165.08	J/mol×K	309.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	165.27	J/mol×K	310.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	165.46	J/mol×K	312.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	165.65	J/mol×K	313.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	165.85	J/mol×K	315.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	166.04	J/mol×K	316.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	166.24	J/mol×K	318.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	166.43	J/mol×K	319.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	166.63	J/mol×K	321.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	166.83	J/mol×K	322.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	167.04	J/mol×K	324.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	167.24	J/mol×K	325.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	167.44	J/mol×K	327.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	167.65	J/mol×K	328.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	167.86	J/mol×K	330.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	168.06	J/mol×K	331.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	168.27	J/mol×K	333.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	168.49	J/mol×K	334.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	168.70	J/mol×K	336.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	168.91	J/mol×K	337.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	169.13	J/mol×K	339.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	169.35	J/mol×K	340.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	169.56	J/mol×K	342.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	169.78	J/mol×K	343.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	170.00	J/mol×K	345.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	170.23	J/mol×K	346.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	170.45	J/mol×K	348.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	170.68	J/mol×K	349.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	170.90	J/mol×K	351.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	171.13	J/mol×K	352.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	171.36	J/mol×K	354.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
Cp,liquid	171.51	J/mol×K	355.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
ΔvapH	[37.55; 42.00]	kJ/mol	[407.00; 416.50]
ΔvapH	42.00	kJ/mol	407.00	NIST
ΔvapH	37.55	kJ/mol	416.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[96.51; 191.44]	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			2.12430e+01
Coefficient B			3.33800e-01
Coefficient C			-2.31200e-04
Coefficient D			6.76000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	96.51	J/mol×K	273.00	Calculated Property
Cp,gas	113.39	J/mol×K	353.78	Calculated Property
Cp,gas	128.19	J/mol×K	434.56	Calculated Property
Cp,gas	141.11	J/mol×K	515.33	Calculated Property
Cp,gas	152.39	J/mol×K	596.11	Calculated Property
Cp,gas	162.22	J/mol×K	676.89	Calculated Property
Cp,gas	170.83	J/mol×K	757.67	Calculated Property
Cp,gas	178.43	J/mol×K	838.44	Calculated Property
Cp,gas	185.23	J/mol×K	919.22	Calculated Property
Cp,gas	191.44	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0033603; 0.0003522]	Pa×s	[214.25; 397.25]	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			-1.05920e+01
Coefficient B			1.04902e+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.			214.25
Temperature range, max.			397.25
η	0.0033603	Pa×s	214.25	Calculated Property
η	0.0021982	Pa×s	234.58	Calculated Property
η	0.0015387	Pa×s	254.92	Calculated Property
η	0.0011353	Pa×s	275.25	Calculated Property
η	0.0008735	Pa×s	295.58	Calculated Property
η	0.0006951	Pa×s	315.92	Calculated Property
η	0.0005687	Pa×s	336.25	Calculated Property
η	0.0004760	Pa×s	356.59	Calculated Property
η	0.0004061	Pa×s	376.92	Calculated Property
η	0.0003522	Pa×s	397.25	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 205.55]	kPa	[306.12; 443.91]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.44017e+01
Coefficient B			-3.50342e+03
Coefficient C			-5.79010e+01
Temperature range, min.			306.12
Temperature range, max.			443.91
Pvap	1.33	kPa	306.12	Calculated Property
Pvap	3.03	kPa	321.43	Calculated Property
Pvap	6.28	kPa	336.74	Calculated Property
Pvap	12.08	kPa	352.05	Calculated Property
Pvap	21.77	kPa	367.36	Calculated Property
Pvap	37.13	kPa	382.67	Calculated Property
Pvap	60.34	kPa	397.98	Calculated Property
Pvap	94.04	kPa	413.29	Calculated Property
Pvap	141.30	kPa	428.60	Calculated Property
Pvap	205.55	kPa	443.91	Calculated Property

Similar Compounds

Find more compounds similar to Propane, 1-bromo-3-chloro-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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