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).
• C_sat : Molar heat capacity at saturation pressure (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).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3840		KDB
ΔfH°gas	-82.24	kJ/mol	Relay (1.0) 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. Solubility Prediction
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	218.00	K	KDB
Tfus	217.99	K	Aq. Solubility Prediction
Tfus	217.70 ± 0.02	K	NIST
Tfus	217.90 ± 0.20	K	NIST
Vc	0.322	m3/kmol	KDB
Zc	0.3299010		KDB

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	172.80	J/mol×K	298.00	NIST
Csat	[164.00; 176.00]	J/mol×K	[310.00; 350.00]
Csat	164.00	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
Csat	167.00	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
Csat	170.00	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
Csat	173.00	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
Csat	176.00	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
ΔvapH	[35.61; 44.60]	kJ/mol	[340.50; 415.00]
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
Cp,gas	[96.78; 192.78]	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			1.48610e+01
Coefficient B			3.71120e-01
Coefficient C			-2.85400e-04
Coefficient D			9.22000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	96.78	J/mol×K	273.00	Calculated Property
Cp,gas	114.52	J/mol×K	353.78	Calculated Property
Cp,gas	129.80	J/mol×K	434.56	Calculated Property
Cp,gas	142.94	J/mol×K	515.33	Calculated Property
Cp,gas	154.20	J/mol×K	596.11	Calculated Property
Cp,gas	163.90	J/mol×K	676.89	Calculated Property
Cp,gas	172.31	J/mol×K	757.67	Calculated Property
Cp,gas	179.74	J/mol×K	838.44	Calculated Property
Cp,gas	186.46	J/mol×K	919.22	Calculated Property
Cp,gas	192.78	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0055568; 0.0003364]	Pa×s	[217.90; 443.87]	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			-1.07013e+01
Coefficient B			1.20030e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			217.90
Temperature range, max.			443.87
η	0.0055568	Pa×s	217.90	Calculated Property
η	0.0031452	Pa×s	243.01	Calculated Property
η	0.0019804	Pa×s	268.11	Calculated Property
η	0.0013498	Pa×s	293.22	Calculated Property
η	0.0009774	Pa×s	318.33	Calculated Property
η	0.0007419	Pa×s	343.44	Calculated Property
η	0.0005847	Pa×s	368.55	Calculated Property
η	0.0004750	Pa×s	393.65	Calculated Property
η	0.0003957	Pa×s	418.76	Calculated Property
η	0.0003364	Pa×s	443.87	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[308.96; 439.66]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
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
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 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			9.84620e+01
Coefficient B			-8.51840e+03
Coefficient C			-1.23841e+01
Coefficient D			7.75533e-06
Coefficient E			0.00000e+00
Temperature range, min.			266.15
Temperature range, max.			525.15
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
Pvap	[0.13; 102.62]	kPa	[266.00; 414.80]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.48257e+01
Coefficient B			-3.83830e+03
Coefficient C			-3.83000e+01
Reference			Stull, 1947
Temperature range, min.			266.00
Temperature range, max.			414.80
Pvap	0.13	kPa	266.00	Calculated Property
Pvap	0.41	kPa	282.53	Calculated Property
Pvap	1.11	kPa	299.07	Calculated Property
Pvap	2.68	kPa	315.60	Calculated Property
Pvap	5.83	kPa	332.13	Calculated Property
Pvap	11.69	kPa	348.67	Calculated Property
Pvap	21.85	kPa	365.20	Calculated Property
Pvap	38.45	kPa	381.73	Calculated Property
Pvap	64.25	kPa	398.27	Calculated Property
Pvap	102.62	kPa	414.80	Calculated Property

Similar Compounds

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

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Joback Method
• KDB
• Aqueous Solubility Prediction 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.