Chemical Properties of Propane, 1,2-dibromo- (CAS 78-75-1)

InChI

InChI=1S/C3H6Br2/c1-3(5)2-4/h3H,2H2,1H3

InChI Key

XFNJYAKDBJUJAJ-UHFFFAOYSA-N

Formula

C3H6Br2

SMILES

CC(Br)CBr

Molecular Weight¹

201.89

CAS

78-75-1

Other Names

• .+/-.-1,2-Dibromopropane
• 1,2-Dibromopropane
• CH2BrCHBrCH3
• Propylene dibromide

• 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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3840		KDB
ΔfG°	0.58	kJ/mol	Joback Calculated Property
ΔfH°gas	-57.87	kJ/mol	Joback Calculated Property
ΔfusH°	10.57	kJ/mol	Joback Calculated Property
ΔvapH°	[41.69; 42.30]	kJ/mol
ΔvapH°	41.69	kJ/mol	NIST
ΔvapH°	42.20	kJ/mol	NIST
ΔvapH°	42.30 ± 0.70	kJ/mol	NIST
IE	[10.10; 10.38]	eV
IE	10.10	eV	NIST
IE	10.38	eV	NIST
log10WS	-2.15		Aq. Sol...
logPoct/wat	2.165		Crippen Calculated Property
McVol	88.130	ml/mol	McGowan Calculated Property
Pc	5410.00	kPa	KDB
Inp	[823.00; 861.00]
Inp	846.00		NIST
Inp	823.00		NIST
Inp	842.00		NIST
Inp	849.00		NIST
Inp	861.00		NIST
Inp	851.00		NIST
Inp	846.00		NIST
Inp	823.00		NIST
Tboil	[413.00; 416.65]	K
Tboil	413.20	K	KDB
Tboil	413.20	K	NIST
Tboil	415.00	K	NIST
Tboil	413.00 ± 4.00	K	NIST
Tboil	416.40 ± 2.00	K	NIST
Tboil	414.00 ± 3.00	K	NIST
Tboil	414.00 ± 2.00	K	NIST
Tboil	415.20 ± 1.00	K	NIST
Tboil	413.00 ± 2.00	K	NIST
Tboil	414.00 ± 2.00	K	NIST
Tboil	413.00 ± 2.00	K	NIST
Tboil	414.00 ± 4.00	K	NIST
Tboil	415.00 ± 2.00	K	NIST
Tboil	414.00 ± 3.00	K	NIST
Tboil	413.05 ± 0.20	K	NIST
Tboil	415.00 ± 6.00	K	NIST
Tboil	416.65 ± 4.00	K	NIST
Tboil	416.15 ± 5.00	K	NIST
Tc	634.10	K	KDB
Tfus	[217.70; 218.00]	K
Tfus	217.99	K	Aq. Sol...
Tfus	218.00	K	KDB
Tfus	217.70 ± 0.02	K	NIST
Tfus	217.90 ± 0.20	K	NIST
Vc	0.322	m3/kmol	KDB
Zc	0.3299010		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[123.53; 156.45]	J/mol×K	[399.92; 613.78]
T(K) Ideal gas heat capacity (J/mol×K) 125 130 135 140 145 150 155 400 500 600
Cp,gas	123.53	J/mol×K	399.92	Joback Calculated Property
Cp,gas	129.98	J/mol×K	435.56	Joback Calculated Property
Cp,gas	136.01	J/mol×K	471.21	Joback Calculated Property
Cp,gas	141.65	J/mol×K	506.85	Joback Calculated Property
Cp,gas	146.92	J/mol×K	542.50	Joback Calculated Property
Cp,gas	151.84	J/mol×K	578.14	Joback Calculated Property
Cp,gas	156.45	J/mol×K	613.78	Joback Calculated Property
Cp,liquid	172.80	J/mol×K	298.00	NIST
η	[0.0004529; 0.0043363]	Pa×s	[228.17; 399.92]
T(K) Dynamic viscosity (Pa×s) 1.00e-3 2.00e-3 3.00e-3 4.00e-3 250 300 350 400
η	0.0043363	Pa×s	228.17	Joback Calculated Property
η	0.0024124	Pa×s	256.80	Joback Calculated Property
η	0.0015096	Pa×s	285.42	Joback Calculated Property
η	0.0010289	Pa×s	314.05	Joback Calculated Property
η	0.0007477	Pa×s	342.67	Joback Calculated Property
η	0.0005708	Pa×s	371.30	Joback Calculated Property
η	0.0004529	Pa×s	399.92	Joback Calculated Property
ΔvapH	[35.61; 44.60]	kJ/mol	[340.50; 415.00]
T(K) Enthalpy of vaporization at a given temperature (kJ/mol) 36 38 40 42 44 340 360 380 400
ΔvapH	42.80	kJ/mol	340.50	NIST
ΔvapH	41.40	kJ/mol	357.50	NIST
ΔvapH	44.60	kJ/mol	392.50	NIST
ΔvapH	41.01	kJ/mol	413.20	KDB
ΔvapH	35.61	kJ/mol	415.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[308.96; 439.66]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.48599e+01
Coefficient B			-3.61999e+03
Coefficient C			-6.05390e+01
Temperature range, min.			308.96
Temperature range, max.			439.66
T(K) Vapor pressure (kPa) 0 50 100 150 200 350 400
Pvap	1.33	kPa	308.96	Calculated Property
Pvap	2.98	kPa	323.48	Calculated Property
Pvap	6.13	kPa	338.00	Calculated Property
Pvap	11.73	kPa	352.53	Calculated Property
Pvap	21.11	kPa	367.05	Calculated Property
Pvap	36.01	kPa	381.57	Calculated Property
Pvap	58.66	kPa	396.09	Calculated Property
Pvap	91.77	kPa	410.62	Calculated Property
Pvap	138.54	kPa	425.14	Calculated Property
Pvap	202.65	kPa	439.66	Calculated Property
Pvap	[0.12; 906.43]	kPa	[266.15; 525.15]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			9.84620e+01
Coefficient B			-8.51840e+03
Coefficient C			-1.23841e+01
Coefficient D			7.75533e-06
Temperature range, min.			266.15
Temperature range, max.			525.15
T(K) Vapor pressure (kPa) 0 200 400 600 800 300 400 500
Pvap	0.12	kPa	266.15	Calculated Property
Pvap	0.84	kPa	294.93	Calculated Property
Pvap	3.98	kPa	323.71	Calculated Property
Pvap	13.81	kPa	352.48	Calculated Property
Pvap	38.15	kPa	381.26	Calculated Property
Pvap	88.69	kPa	410.04	Calculated Property
Pvap	180.73	kPa	438.82	Calculated Property
Pvap	332.74	kPa	467.59	Calculated Property
Pvap	566.26	kPa	496.37	Calculated Property
Pvap	906.43	kPa	525.15	Calculated Property

Similar Compounds

Find more compounds similar to Propane, 1,2-dibromo-.

Sources

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

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