Chemical Properties of Propane, 2-bromo- (CAS 75-26-3)

InChI

InChI=1S/C3H7Br/c1-3(2)4/h3H,1-2H3

InChI Key

NAMYKGVDVNBCFQ-UHFFFAOYSA-N

Formula

C3H7Br

SMILES

CC(C)Br

Molecular Weight¹

122.99

CAS

75-26-3

Other Names

• 2-Bromopropane
• ISOPROPYL BROMIDE
• SEC-PROPYL BROMIDE
• UN 2344
• iso-C3H7Br

• 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_fusH : Enthalpy of fusion at a given temperature (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.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• 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
ΔcH°liquid	-2051.90 ± 1.80	kJ/mol	NIST
ΔfG°	-13.74	kJ/mol	Joback Calculated Property
ΔfH°gas	[-98.50; -95.60]	kJ/mol
ΔfH°gas	-95.60 ± 1.00	kJ/mol	NIST
ΔfH°gas	-98.50 ± 1.90	kJ/mol	NIST
ΔfH°gas	-98.50 ± 1.90	kJ/mol	NIST
ΔfH°liquid	[-129.10; -129.00]	kJ/mol
ΔfH°liquid	-129.00	kJ/mol	NIST
ΔfH°liquid	-129.10 ± 1.80	kJ/mol	NIST
ΔfusH°	5.29	kJ/mol	Joback Calculated Property
ΔvapH°	[30.20; 30.60]	kJ/mol
ΔvapH°	30.33	kJ/mol	NIST
ΔvapH°	30.60	kJ/mol	NIST
ΔvapH°	30.20 ± 0.10	kJ/mol	NIST
ΔvapH°	30.20 ± 0.08	kJ/mol	NIST
IE	[10.07; 10.40]	eV
IE	10.10 ± 0.02	eV	NIST
IE	10.13	eV	NIST
IE	10.12	eV	NIST
IE	10.07	eV	NIST
IE	Outlier 10.40 ± 0.10	eV	NIST
IE	10.12 ± 0.01	eV	NIST
IE	10.08 ± 0.01	eV	NIST
log10WS	[-1.59; -1.59]
log10WS	-1.59		Aq. Sol...
log10WS	-1.59		Estimat...
logPoct/wat	1.790		Crippen Calculated Property
McVol	70.630	ml/mol	McGowan Calculated Property
Pc	4897.06	kPa	Joback Calculated Property
Inp	[554.00; 591.00]
Inp	554.00		NIST
Inp	558.00		NIST
Inp	562.00		NIST
Inp	565.00		NIST
Inp	582.00		NIST
Inp	583.00		NIST
Inp	591.00		NIST
Inp	571.00		NIST
Inp	565.00		NIST
Inp	591.00		NIST
Inp	554.00		NIST
Inp	583.00		NIST
Inp	571.00		NIST
Tboil	[332.00; 334.70]	K
Tboil	332.50	K	KDB
Tboil	332.60	K	NIST
Tboil	332.60	K	NIST
Tboil	332.50 ± 0.50	K	NIST
Tboil	332.60 ± 0.50	K	NIST
Tboil	332.61 ± 0.20	K	NIST
Tboil	332.00 ± 2.00	K	NIST
Tboil	332.70 ± 0.30	K	NIST
Tboil	332.60 ± 0.60	K	NIST
Tboil	332.80 ± 0.50	K	NIST
Tboil	332.32 ± 0.20	K	NIST
Tboil	332.65 ± 0.60	K	NIST
Tboil	333.00 ± 0.50	K	NIST
Tboil	332.60 ± 0.15	K	NIST
Tboil	Outlier 334.70 ± 0.80	K	NIST
Tboil	Outlier 334.65 ± 2.00	K	NIST
Tc	532.00	K	NIST
Tfus	[184.05; 184.55]	K
Tfus	184.15	K	KDB
Tfus	184.20 ± 0.30	K	NIST
Tfus	184.55 ± 0.50	K	NIST
Tfus	184.05 ± 0.50	K	NIST
Vc	0.260	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[96.11; 130.79]	J/mol×K	[333.76; 524.35]
Cp,gas	96.11	J/mol×K	333.76	Joback Calculated Property
Cp,gas	102.61	J/mol×K	365.53	Joback Calculated Property
Cp,gas	108.81	J/mol×K	397.29	Joback Calculated Property
Cp,gas	114.71	J/mol×K	429.06	Joback Calculated Property
Cp,gas	120.34	J/mol×K	460.82	Joback Calculated Property
Cp,gas	125.69	J/mol×K	492.59	Joback Calculated Property
Cp,gas	130.79	J/mol×K	524.35	Joback Calculated Property
Cp,liquid	[126.80; 135.60]	J/mol×K	[209.60; 298.15]
Cp,liquid	126.80	J/mol×K	209.60	NIST
Cp,liquid	132.20	J/mol×K	298.00	NIST
Cp,liquid	135.60	J/mol×K	298.15	NIST
η	[0.0004194; 0.0004981]	Pa×s	[298.15; 318.15]
η	0.0004981	Pa×s	298.15	Measure...
η	0.0004835	Pa×s	303.15	Measure...
η	0.0004708	Pa×s	308.15	Measure...
η	0.0004389	Pa×s	313.15	Measure...
η	0.0004194	Pa×s	318.15	Measure...
ΔfusH	[6.53; 6.55]	kJ/mol	[184.10; 184.10]
ΔfusH	6.53	kJ/mol	184.10	NIST
ΔfusH	6.55	kJ/mol	184.10	NIST
ΔfusH	6.53	kJ/mol	184.10	NIST
ΔvapH	[28.00; 33.40]	kJ/mol	[272.00; 338.00]
ΔvapH	33.40	kJ/mol	272.00	NIST
ΔvapH	32.10	kJ/mol	282.00	NIST
ΔvapH	30.90	kJ/mol	288.00	NIST
ΔvapH	29.80 ± 0.10	kJ/mol	305.00	NIST
ΔvapH	30.10	kJ/mol	315.50	NIST
ΔvapH	29.20 ± 0.10	kJ/mol	318.00	NIST
ΔvapH	28.50 ± 0.10	kJ/mol	330.00	NIST
ΔvapH	28.40	kJ/mol	331.60	NIST
ΔvapH	28.33	kJ/mol	332.60	NIST
ΔvapH	28.00 ± 0.10	kJ/mol	338.00	NIST
ΔfusS	35.50	J/mol×K	184.10	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[241.05; 355.61]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.46798e+01
Coefficient B			-3.07460e+03
Coefficient C			-2.74180e+01
Temperature range, min.			241.05
Temperature range, max.			355.61
Pvap	1.33	kPa	241.05	Calculated Property
Pvap	3.00	kPa	253.78	Calculated Property
Pvap	6.17	kPa	266.51	Calculated Property
Pvap	11.82	kPa	279.24	Calculated Property
Pvap	21.28	kPa	291.97	Calculated Property
Pvap	36.28	kPa	304.69	Calculated Property
Pvap	59.02	kPa	317.42	Calculated Property
Pvap	92.17	kPa	330.15	Calculated Property
Pvap	138.86	kPa	342.88	Calculated Property
Pvap	202.65	kPa	355.61	Calculated Property
Pvap	[7.07e-03; 5517.06]	kPa	[184.15; 532.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			7.00355e+01
Coefficient B			-5.73559e+03
Coefficient C			-8.46248e+00
Coefficient D			8.75295e-06
Temperature range, min.			184.15
Temperature range, max.			532.00
Pvap	7.07e-03	kPa	184.15	Calculated Property
Pvap	0.36	kPa	222.80	Calculated Property
Pvap	4.91	kPa	261.45	Calculated Property
Pvap	31.20	kPa	300.10	Calculated Property
Pvap	122.99	kPa	338.75	Calculated Property
Pvap	355.68	kPa	377.40	Calculated Property
Pvap	836.47	kPa	416.05	Calculated Property
Pvap	1709.28	kPa	454.70	Calculated Property
Pvap	3172.84	kPa	493.35	Calculated Property
Pvap	5517.06	kPa	532.00	Calculated Property

Similar Compounds

Find more compounds similar to Propane, 2-bromo-.

Mixtures

• Propane, 2-bromo- + Acetic acid, pentyl ester
• Propane, 2-bromo- + Ethanol
• Propane, 2-bromo- + Pyridine
• Propane, 2-bromo- + Water

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Abraham model linear free energy relationships for describing the partitioning and solubility behavior of nonelectrolyte organic solutes dissolved in pyridine at 298.15 K
• Abraham model correlations for describing the thermodynamic properties of solute transfer into pentyl acetate based on headspace chromatographic and solubility measurements
• Measurement and Correlation of the Densities and Viscosities of 2-Bromopropane + Ethanol Binary Mixtures at Temperatures from (298.15 to 318.15) K
• Measurement and Correlation for Solubility of 2-Bromopropane and Thiourea in Water
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.