Chemical Properties of Pentane, 2-bromo- (CAS 107-81-3)

InChI

InChI=1S/C5H11Br/c1-3-4-5(2)6/h5H,3-4H2,1-2H3

InChI Key

LGAJYTCRJPCZRJ-UHFFFAOYSA-N

Formula

C5H11Br

SMILES

CCCC(C)Br

Molecular Weight¹

151.04

CAS

107-81-3

Other Names

• 2-Bromopentane
• 2-Pentyl bromide
• NSC 7896
• UN 2343

• ω : Acentric Factor.
• C_p,gas : Ideal gas 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.
• I : 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	0.3414		Relay (1.0) Calculated Property
ΔfG°	3.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-129.97	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	10.47	kJ/mol	Joback Calculated Property
ΔvapH°	38.50	kJ/mol	NIST
IE	9.90	eV	Relay (1.0) Calculated Property
log10WS	-2.80		Relay (1.0) Calculated Property
logPoct/wat	2.570		Crippen Calculated Property
McVol	98.810	ml/mol	McGowan Calculated Property
Pc	3805.69	kPa	Joback Calculated Property
Inp	786.00		NIST
I	[976.00; 999.00]
I	986.00		NIST
I	999.00		NIST
I	976.00		NIST
I	984.00		NIST
I	984.00		NIST
I	986.00		NIST
Tboil	[389.00; 392.00]	K
Tboil	389.50 ± 0.50	K	NIST
Tboil	390.60	K	NIST
Tboil	390.00	K	NIST
Tboil	389.00 ± 3.00	K	NIST
Tboil	391.00 ± 2.00	K	NIST
Tboil	391.00 ± 2.00	K	NIST
Tboil	392.00 ± 2.00	K	NIST
Tc	583.52	K	Relay (1.0) Calculated Property
Tfus	163.56	K	Relay (1.0) Calculated Property
Vc	0.371	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[125.22; 286.89]	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			4.85200e+00
Coefficient B			5.22940e-01
Coefficient C			-3.22800e-04
Coefficient D			8.19000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	125.22	J/mol×K	273.00	Calculated Property
Cp,gas	153.08	J/mol×K	353.78	Calculated Property
Cp,gas	177.86	J/mol×K	434.56	Calculated Property
Cp,gas	199.82	J/mol×K	515.33	Calculated Property
Cp,gas	219.22	J/mol×K	596.11	Calculated Property
Cp,gas	236.32	J/mol×K	676.89	Calculated Property
Cp,gas	251.38	J/mol×K	757.67	Calculated Property
Cp,gas	264.66	J/mol×K	838.44	Calculated Property
Cp,gas	276.41	J/mol×K	919.22	Calculated Property
Cp,gas	286.89	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0061616; 0.0003033]	Pa×s	[190.91; 398.39]	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			-1.08714e+01
Coefficient B			1.10384e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			190.91
Temperature range, max.			398.39
η	0.0061616	Pa×s	190.91	Calculated Property
η	0.0033047	Pa×s	213.96	Calculated Property
η	0.0020008	Pa×s	237.02	Calculated Property
η	0.0013241	Pa×s	260.07	Calculated Property
η	0.0009372	Pa×s	283.12	Calculated Property
η	0.0006988	Pa×s	306.18	Calculated Property
η	0.0005429	Pa×s	329.23	Calculated Property
η	0.0004359	Pa×s	352.28	Calculated Property
η	0.0003596	Pa×s	375.34	Calculated Property
η	0.0003033	Pa×s	398.39	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[285.71; 415.51]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.48220e+01
Coefficient B			-3.57127e+03
Coefficient C			-4.00030e+01
Temperature range, min.			285.71
Temperature range, max.			415.51
Pvap	1.33	kPa	285.71	Calculated Property
Pvap	2.98	kPa	300.13	Calculated Property
Pvap	6.14	kPa	314.55	Calculated Property
Pvap	11.75	kPa	328.98	Calculated Property
Pvap	21.14	kPa	343.40	Calculated Property
Pvap	36.06	kPa	357.82	Calculated Property
Pvap	58.73	kPa	372.24	Calculated Property
Pvap	91.85	kPa	386.67	Calculated Property
Pvap	138.61	kPa	401.09	Calculated Property
Pvap	202.65	kPa	415.51	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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