Chemical Properties of Hexadecane, 1-bromo- (CAS 112-82-3)

InChI

InChI=1S/C16H33Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-16H2,1H3

InChI Key

HNTGIJLWHDPAFN-UHFFFAOYSA-N

Formula

C16H33Br

SMILES

CCCCCCCCCCCCCCCCBr

Molecular Weight¹

305.34

CAS

112-82-3

Other Names

• 1-Bromohexadecane
• 1-Hexadecyl bromide
• CETYL BROMIDE
• Hexadecyl bromide
• N-HEXADECYL BROMIDE
• n-Hexadecyl-1-bromide

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_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).
• 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_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
ΔcH°liquid	-10567.80 ± 1.70	kJ/mol	NIST
ΔfG°	98.16	kJ/mol	Joback Calculated Property
ΔfH°gas	-350.10 ± 3.20	kJ/mol	NIST
ΔfH°liquid	-444.50 ± 2.80	kJ/mol	NIST
ΔfusH°	42.48	kJ/mol	Joback Calculated Property
ΔvapH°	[94.40; 94.40]	kJ/mol
ΔvapH°	94.40	kJ/mol	NIST
ΔvapH°	94.40 ± 1.50	kJ/mol	NIST
ΔvapH°	94.40 ± 1.50	kJ/mol	NIST
ΔvapH°	94.40 ± 1.50	kJ/mol	NIST
log10WS	-6.95		Crippen Calculated Property
logPoct/wat	6.863		Crippen Calculated Property
McVol	253.800	ml/mol	McGowan Calculated Property
Pc	1387.11	kPa	Joback Calculated Property
Inp	[1957.00; 1965.00]
Inp	1965.00		NIST
Inp	1957.00		NIST
Inp	1965.00		NIST
Inp	1957.00		NIST
I	[2220.00; 2258.00]
I	2258.00		NIST
I	2220.00		NIST
I	2237.00		NIST
I	2237.00		NIST
I	2258.00		NIST
Tboil	[463.15; 609.20]	K
Tboil	463.15	K	KDB
Tboil	609.20	K	NIST
Tc	802.23	K	Joback Calculated Property
Tfus	[287.35; 288.15]	K
Tfus	287.35	K	Fabrica...
Tfus	288.15 ± 1.50	K	NIST
Vc	0.994	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[670.67; 768.96]	J/mol×K	[631.64; 802.23]
Cp,gas	670.67	J/mol×K	631.64	Joback Calculated Property
Cp,gas	688.95	J/mol×K	660.07	Joback Calculated Property
Cp,gas	706.44	J/mol×K	688.50	Joback Calculated Property
Cp,gas	723.15	J/mol×K	716.93	Joback Calculated Property
Cp,gas	739.12	J/mol×K	745.36	Joback Calculated Property
Cp,gas	754.38	J/mol×K	773.79	Joback Calculated Property
Cp,gas	768.96	J/mol×K	802.23	Joback Calculated Property
η	[0.0001371; 0.0028764]	Pa×s	[329.88; 631.64]
η	0.0028764	Pa×s	329.88	Joback Calculated Property
η	0.0012382	Pa×s	380.17	Joback Calculated Property
η	0.0006491	Pa×s	430.47	Joback Calculated Property
η	0.0003895	Pa×s	480.76	Joback Calculated Property
η	0.0002574	Pa×s	531.05	Joback Calculated Property
η	0.0001828	Pa×s	581.35	Joback Calculated Property
η	0.0001371	Pa×s	631.64	Joback Calculated Property
ΔvapH	71.90	kJ/mol	567.00	NIST

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[463.00; 463.20]	K	[1.50; 1.50]
Tboilr	463.20	K	1.50	NIST
Tboilr	463.00	K	1.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[467.32; 643.09]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.55101e+01
Coefficient B			-5.43178e+03
Coefficient C			-1.10494e+02
Temperature range, min.			467.32
Temperature range, max.			643.09
Pvap	1.33	kPa	467.32	Calculated Property
Pvap	2.94	kPa	486.85	Calculated Property
Pvap	5.99	kPa	506.38	Calculated Property
Pvap	11.41	kPa	525.91	Calculated Property
Pvap	20.53	kPa	545.44	Calculated Property
Pvap	35.10	kPa	564.97	Calculated Property
Pvap	57.44	kPa	584.50	Calculated Property
Pvap	90.40	kPa	604.03	Calculated Property
Pvap	137.44	kPa	623.56	Calculated Property
Pvap	202.63	kPa	643.09	Calculated Property
Pvap	[1.32; 331.12]	kPa	[461.15; 673.15]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.20080e+02
Coefficient B			-1.45997e+04
Coefficient C			-1.45223e+01
Coefficient D			4.37035e-06
Temperature range, min.			461.15
Temperature range, max.			673.15
Pvap	1.32	kPa	461.15	Calculated Property
Pvap	3.28	kPa	484.71	Calculated Property
Pvap	7.35	kPa	508.26	Calculated Property
Pvap	15.13	kPa	531.82	Calculated Property
Pvap	28.90	kPa	555.37	Calculated Property
Pvap	51.77	kPa	578.93	Calculated Property
Pvap	87.82	kPa	602.48	Calculated Property
Pvap	142.10	kPa	626.04	Calculated Property
Pvap	220.77	kPa	649.59	Calculated Property
Pvap	331.12	kPa	673.15	Calculated Property

Similar Compounds

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

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Fabrication and properties of poly(polyethylene glycol n-alkyl ether vinyl ether)s as polymeric phase change materials
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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