Chemical Properties of Undecane, 1-bromo- (CAS 693-67-4)

InChI

InChI=1S/C11H23Br/c1-2-3-4-5-6-7-8-9-10-11-12/h2-11H2,1H3

InChI Key

IKPSIIAXIDAQLG-UHFFFAOYSA-N

Formula

C11H23Br

SMILES

CCCCCCCCCCCBr

Molecular Weight¹

235.21

CAS

693-67-4

Other Names

• 1-bromoundecane
• Undecyl bromide
• n-Undecyl bromide
• n-Undecyl-1-bromide

• 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_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.
• I_p : Polar retention indices.
• c_sound,fluid : Speed of sound in fluid (m/s).
• γ : Surface Tension (N/m).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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	0.6528		Relay (1.0) Calculated Property
ΔfG°	56.06	kJ/mol	Joback Calculated Property
ΔfH°gas	-268.14	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	29.53	kJ/mol	Joback Calculated Property
ΔvapH°	71.61	kJ/mol	Relay (1.0) Calculated Property
IE	9.82	eV	Relay (1.0) Calculated Property
log10WS	-6.28		Relay (1.0) Calculated Property
logPoct/wat	4.912		Crippen Calculated Property
McVol	183.350	ml/mol	McGowan Calculated Property
Pc	2056.76	kPa	Joback Calculated Property
Inp	[1447.00; 1449.00]
Inp	1448.00		NIST
Inp	1447.00		NIST
Inp	1449.00		NIST
Inp	1447.00		NIST
Inp	1449.00		NIST
Ip	[1687.00; 1717.00]
Ip	1692.00		NIST
Ip	1687.00		NIST
Ip	1717.00		NIST
Ip	1717.00		NIST
Tboil	525.30	K	Relay (1.0) Calculated Property
Tc	704.08	K	Relay (1.0) Calculated Property
Tfus	[263.25; 264.15]	K
Tfus	264.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	263.25	K	KDB
Tfus	263.30 ± 0.30	K	NIST
Vc	0.721	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[373.22; 435.50]	J/mol×K	[298.15; 423.15]
Cp,liquid	373.22	J/mol×K	298.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
Cp,liquid	375.72	J/mol×K	303.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
Cp,liquid	378.21	J/mol×K	308.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
Cp,liquid	380.70	J/mol×K	313.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
Cp,liquid	383.19	J/mol×K	318.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
Cp,liquid	385.69	J/mol×K	323.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
Cp,liquid	388.18	J/mol×K	328.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
Cp,liquid	390.67	J/mol×K	333.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
Cp,liquid	393.17	J/mol×K	338.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
Cp,liquid	395.66	J/mol×K	343.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
Cp,liquid	398.15	J/mol×K	348.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
Cp,liquid	400.62	J/mol×K	353.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
Cp,liquid	403.12	J/mol×K	358.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
Cp,liquid	405.61	J/mol×K	363.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
Cp,liquid	408.10	J/mol×K	368.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
Cp,liquid	410.60	J/mol×K	373.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
Cp,liquid	413.09	J/mol×K	378.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
Cp,liquid	415.58	J/mol×K	383.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
Cp,liquid	418.08	J/mol×K	388.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
Cp,liquid	420.57	J/mol×K	393.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
Cp,liquid	423.06	J/mol×K	398.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
Cp,liquid	425.56	J/mol×K	403.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
Cp,liquid	428.02	J/mol×K	408.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
Cp,liquid	430.52	J/mol×K	413.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
Cp,liquid	433.01	J/mol×K	418.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
Cp,liquid	435.50	J/mol×K	423.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
ΔfusH	[33.47; 33.47]	kJ/mol	[263.30; 263.30]
ΔfusH	33.47	kJ/mol	263.30	NIST
ΔfusH	33.47	kJ/mol	263.30	NIST
ΔvapH	[58.80; 59.50]	kJ/mol	[485.50; 494.50]
ΔvapH	58.80	kJ/mol	485.50	NIST
ΔvapH	59.50	kJ/mol	494.50	NIST
csound,fluid	[854.45; 1307.02]	m/s	[273.42; 423.13]
csound,fluid	1307.02	m/s	273.42	Speed of Sound, Densities, and Isentropic Compressibilities of Liquid 1-Bromoalkanes at Temperatures from (243.15 to 423.15) K
csound,fluid	1208.99	m/s	303.22	Speed of Sound, Densities, and Isentropic Compressibilities of Liquid 1-Bromoalkanes at Temperatures from (243.15 to 423.15) K
csound,fluid	1145.61	m/s	323.19	Speed of Sound, Densities, and Isentropic Compressibilities of Liquid 1-Bromoalkanes at Temperatures from (243.15 to 423.15) K
csound,fluid	1054.42	m/s	353.14	Speed of Sound, Densities, and Isentropic Compressibilities of Liquid 1-Bromoalkanes at Temperatures from (243.15 to 423.15) K
csound,fluid	966.59	m/s	383.14	Speed of Sound, Densities, and Isentropic Compressibilities of Liquid 1-Bromoalkanes at Temperatures from (243.15 to 423.15) K
csound,fluid	909.71	m/s	403.13	Speed of Sound, Densities, and Isentropic Compressibilities of Liquid 1-Bromoalkanes at Temperatures from (243.15 to 423.15) K
csound,fluid	854.45	m/s	423.13	Speed of Sound, Densities, and Isentropic Compressibilities of Liquid 1-Bromoalkanes at Temperatures from (243.15 to 423.15) K

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[410.70; 415.00]	K	[2.40; 2.70]
Tboilr	410.70	K	2.40	NIST
Tboilr	415.00	K	2.70	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[252.82; 595.90]	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			1.08000e+00
Coefficient B			1.08702e+00
Coefficient C			-6.46000e-04
Coefficient D			1.53800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	252.82	J/mol×K	273.00	Calculated Property
Cp,gas	311.60	J/mol×K	353.78	Calculated Property
Cp,gas	364.08	J/mol×K	434.56	Calculated Property
Cp,gas	410.75	J/mol×K	515.33	Calculated Property
Cp,gas	452.09	J/mol×K	596.11	Calculated Property
Cp,gas	488.59	J/mol×K	676.89	Calculated Property
Cp,gas	520.73	J/mol×K	757.67	Calculated Property
Cp,gas	549.01	J/mol×K	838.44	Calculated Property
Cp,gas	573.90	J/mol×K	919.22	Calculated Property
Cp,gas	595.90	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0049895; 0.0002947]	Pa×s	[263.57; 485.54]	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			-1.14885e+01
Coefficient B			1.63098e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			263.57
Temperature range, max.			485.54
η	0.0049895	Pa×s	263.57	Calculated Property
η	0.0029383	Pa×s	288.23	Calculated Property
η	0.0018810	Pa×s	312.89	Calculated Property
η	0.0012853	Pa×s	337.56	Calculated Property
η	0.0009249	Pa×s	362.22	Calculated Property
η	0.0006941	Pa×s	386.88	Calculated Property
η	0.0005392	Pa×s	411.55	Calculated Property
η	0.0004309	Pa×s	436.21	Calculated Property
η	0.0003528	Pa×s	460.87	Calculated Property
η	0.0002947	Pa×s	485.54	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[405.56; 551.87]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.61805e+01
Coefficient B			-5.03056e+03
Coefficient C			-8.90320e+01
Temperature range, min.			405.56
Temperature range, max.			551.87
Pvap	1.33	kPa	405.56	Calculated Property
Pvap	2.90	kPa	421.82	Calculated Property
Pvap	5.86	kPa	438.07	Calculated Property
Pvap	11.13	kPa	454.33	Calculated Property
Pvap	20.01	kPa	470.59	Calculated Property
Pvap	34.29	kPa	486.84	Calculated Property
Pvap	56.34	kPa	503.10	Calculated Property
Pvap	89.16	kPa	519.36	Calculated Property
Pvap	136.45	kPa	535.61	Calculated Property
Pvap	202.67	kPa	551.87	Calculated Property

Property	Value	Unit	Temperature (K)	Source
γ	[0.03; 0.02]	N/m	[264.15; 411.15]	Jasper (1972), surface tension of pure liquid compounds Compiled value
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is γ in N/m, T in K
Coefficient A			5.54582e-02
Coefficient B			-8.61000e-05
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			264.15
Temperature range, max.			411.15
γ	0.03	N/m	264.15	Calculated Property
γ	0.03	N/m	280.48	Calculated Property
γ	0.03	N/m	296.82	Calculated Property
γ	0.03	N/m	313.15	Calculated Property
γ	0.03	N/m	329.48	Calculated Property
γ	0.03	N/m	345.82	Calculated Property
γ	0.02	N/m	362.15	Calculated Property
γ	0.02	N/m	378.48	Calculated Property
γ	0.02	N/m	394.82	Calculated Property
γ	0.02	N/m	411.15	Calculated Property

Similar Compounds

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

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Jasper (1972), surface tension of pure liquid compounds ChEDL chemicals 1.5.2, from Jasper, J. J. The Surface Tension of Pure Liquid Compounds. J. Phys. Chem. Ref. Data 1972, 1, 841-1010 (as transcribed in Lange's Handbook).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
• Speed of Sound, Densities, and Isentropic Compressibilities of Liquid 1-Bromoalkanes at Temperatures from (243.15 to 423.15) K
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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