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.

Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Please note that you need to enable javascript to get access to all the properties. Here is how to do it for Internet Explorer and for Firefox.

Physical Properties

Property	Value	Unit	Source
ω	0.2940		KDB
Δ_cH°_liquid	-2056.60 ± 1.40	kJ/mol	NIST
Δ_fG°	-11.30	kJ/mol	Joback Calculated Property
Δ_fH°_gas	[-92.00; -82.93]	kJ/mol
Δ_fH°_gas	-82.93	kJ/mol	NIST
Δ_fH°_gas	-92.00 ± 1.70	kJ/mol	NIST
Δ_fH°_liquid	-124.40 ± 1.40	kJ/mol	NIST
Δ_fusH°	8.81	kJ/mol	Joback Calculated Property
Δ_vapH°	[31.90; 32.13]	kJ/mol
Δ_vapH°	32.13	kJ/mol	NIST
Δ_vapH°	31.90 ± 0.10	kJ/mol	NIST
Δ_vapH°	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
logP_oct/wat	1.791		Crippen Calculated Property
McVol	70.630	ml/mol	McGowan Calculated Property
NFPA Fire	3		KDB
NFPA Health	2		KDB
P_c	[4798.00; 4840.00]	kPa
P_c	4840.00	kPa	KDB
P_c	4798.00 ± 20.00	kPa	NIST
I_np	[591.00; 649.00]
I_np	627.70		NIST
I_np	627.10		NIST
I_np	629.00		NIST
I_np	614.20		NIST
I_np	635.00		NIST
I_np	649.00		NIST
I_np	Outlier 591.00		NIST
I_np	597.00		NIST
I_np	601.00		NIST
I_np	606.00		NIST
I_np	610.00		NIST
I_np	640.00		NIST
I_np	627.00		NIST
I_np	632.00		NIST
I_np	618.00		NIST
I_np	614.00		NIST
I_np	614.00		NIST
I_np	636.20		NIST
I_np	624.20		NIST
I_np	632.00		NIST
I_np	614.00		NIST
T_boil	[343.70; 344.30]	K
T_boil	344.20	K	KDB
T_boil	343.90 ± 0.20	K	NIST
T_boil	343.70 ± 0.30	K	NIST
T_boil	344.00	K	NIST
T_boil	343.70 ± 0.30	K	NIST
T_boil	343.70 ± 0.30	K	NIST
T_boil	344.20	K	NIST
T_boil	343.70 ± 0.30	K	NIST
T_boil	343.70 ± 0.20	K	NIST
T_boil	343.70 ± 0.25	K	NIST
T_boil	343.70 ± 0.25	K	NIST
T_boil	343.70 ± 0.20	K	NIST
T_boil	343.70 ± 0.30	K	NIST
T_boil	343.70 ± 0.30	K	NIST
T_boil	343.70 ± 0.20	K	NIST
T_boil	344.20	K	NIST
T_boil	343.70 ± 0.20	K	NIST
T_boil	343.70 ± 0.30	K	NIST
T_boil	344.20 ± 0.50	K	NIST
T_boil	344.30 ± 0.50	K	NIST
T_boil	344.10 ± 0.30	K	NIST
T_boil	344.18 ± 0.10	K	NIST
T_boil	343.80 ± 0.20	K	NIST
T_boil	344.30 ± 0.60	K	NIST
T_boil	344.00 ± 0.50	K	NIST
T_boil	344.20 ± 0.50	K	NIST
T_boil	344.20 ± 0.50	K	NIST
T_c	[535.50; 544.50]	K
T_c	535.50	K	KDB
T_c	536.94 ± 0.10	K	NIST
T_c	544.50	K	NIST
T_fus	[162.70; 163.20]	K
T_fus	163.00	K	KDB
T_fus	162.70 ± 0.20	K	NIST
T_fus	163.00 ± 2.00	K	NIST
T_fus	163.15 ± 0.40	K	NIST
T_fus	163.20 ± 1.00	K	NIST
V_c	0.275	m³/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
C_p,gas	[96.33; 129.69]	J/mol×K	[334.40; 520.33]

C_p,gas	96.33	J/mol×K	334.40	Joback Calculated Property
C_p,gas	102.56	J/mol×K	365.39	Joback Calculated Property
C_p,gas	108.50	J/mol×K	396.38	Joback Calculated Property
C_p,gas	114.18	J/mol×K	427.37	Joback Calculated Property
C_p,gas	119.60	J/mol×K	458.35	Joback Calculated Property
C_p,gas	124.77	J/mol×K	489.34	Joback Calculated Property
C_p,gas	129.69	J/mol×K	520.33	Joback Calculated Property
C_p,liquid	[129.02; 140.20]	J/mol×K	[269.15; 326.65]

C_p,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
C_p,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
C_p,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
C_p,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
C_p,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
C_p,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
C_p,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
C_p,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
C_p,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
C_p,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
C_p,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
C_p,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
C_p,liquid	130.50	J/mol×K	298.00	NIST
C_p,liquid	140.20	J/mol×K	298.00	NIST
C_p,liquid	134.60	J/mol×K	298.15	NIST
C_p,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
C_p,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
C_p,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
C_p,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
C_p,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
C_p,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
C_p,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
C_p,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
C_p,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
C_p,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
C_p,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
C_p,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
η	[0.0003633; 0.0031562]	Pa×s	[183.37; 334.40]

η	0.0031562	Pa×s	183.37	Joback Calculated Property
η	0.0017712	Pa×s	208.54	Joback Calculated Property
η	0.0011256	Pa×s	233.71	Joback Calculated Property
η	0.0007813	Pa×s	258.88	Joback Calculated Property
η	0.0005785	Pa×s	284.06	Joback Calculated Property
η	0.0004499	Pa×s	309.23	Joback Calculated Property
η	0.0003633	Pa×s	334.40	Joback Calculated Property
Δ_vapH	[29.30; 35.50]	kJ/mol	[282.00; 352.00]

Δ_vapH	35.50	kJ/mol	282.00	NIST
Δ_vapH	32.60	kJ/mol	288.00	NIST
Δ_vapH	34.10	kJ/mol	309.00	NIST
Δ_vapH	31.10 ± 0.10	kJ/mol	322.00	NIST
Δ_vapH	31.80	kJ/mol	322.50	NIST
Δ_vapH	30.50 ± 0.10	kJ/mol	332.00	NIST
Δ_vapH	30.10 ± 0.10	kJ/mol	339.00	NIST
Δ_vapH	29.90	kJ/mol	341.80	NIST
Δ_vapH	33.60	kJ/mol	344.20	KDB
Δ_vapH	29.84	kJ/mol	344.20	NIST
Δ_vapH	29.30 ± 0.10	kJ/mol	352.00	NIST
ρ_l	[1344.50; 1431.10]	kg/m³	[243.15; 298.15]

ρ_l	1431.10	kg/m³	243.15	Density of Some 1-Bromoalkanes within the Temperature Range from (243.15 to 423.15) K
ρ_l	1415.40	kg/m³	253.15	Density of Some 1-Bromoalkanes within the Temperature Range from (243.15 to 423.15) K
ρ_l	1400.30	kg/m³	263.15	Density of Some 1-Bromoalkanes within the Temperature Range from (243.15 to 423.15) K
ρ_l	1385.30	kg/m³	273.15	Density of Some 1-Bromoalkanes within the Temperature Range from (243.15 to 423.15) K
ρ_l	1369.40	kg/m³	283.15	Density of Some 1-Bromoalkanes within the Temperature Range from (243.15 to 423.15) K
ρ_l	1344.50	kg/m³	298.15	Density of Some 1-Bromoalkanes within the Temperature Range from (243.15 to 423.15) K
c_sound,fluid	[674.94; 1144.84]	m/s	[243.76; 383.47]

c_sound,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
c_sound,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
c_sound,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
c_sound,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
c_sound,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
c_sound,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
c_sound,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
c_sound,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
c_sound,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
c_sound,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
P_vap	[1.33; 204.59]	kPa	[250.44; 367.04]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
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

P_vap	1.33	kPa	250.44	Calculated Property
P_vap	2.99	kPa	263.40	Calculated Property
P_vap	6.15	kPa	276.35	Calculated Property
P_vap	11.77	kPa	289.31	Calculated Property
P_vap	21.21	kPa	302.26	Calculated Property
P_vap	36.22	kPa	315.22	Calculated Property
P_vap	59.07	kPa	328.17	Calculated Property
P_vap	92.50	kPa	341.13	Calculated Property
P_vap	139.76	kPa	354.08	Calculated Property
P_vap	204.59	kPa	367.04	Calculated Property
P_vap	[9.86e-05; 5078.44]	kPa	[163.15; 544.00]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + Cln(T) + DT^2
Coefficient A			7.52251e+01
Coefficient B			-6.17233e+03
Coefficient C			-9.19579e+00
Coefficient D			8.71010e-06
Temperature range, min.			163.15
Temperature range, max.			544.00

P_vap	9.86e-05	kPa	163.15	Calculated Property
P_vap	0.03	kPa	205.47	Calculated Property
P_vap	1.17	kPa	247.78	Calculated Property
P_vap	12.67	kPa	290.10	Calculated Property
P_vap	68.39	kPa	332.42	Calculated Property
P_vap	240.03	kPa	374.73	Calculated Property
P_vap	639.07	kPa	417.05	Calculated Property
P_vap	1419.00	kPa	459.37	Calculated Property
P_vap	2793.27	kPa	501.68	Calculated Property
P_vap	5078.44	kPa	544.00	Calculated Property

Similar Compounds

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

Mixtures

Sources

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
These property values are available through the Cheméo API. A free account gives you an access key.

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