Chemical Properties of 1-Bromodocosane (CAS 6938-66-5)

InChI

InChI=1S/C22H45Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h2-22H2,1H3

InChI Key

QYOXLKAKUAASNA-UHFFFAOYSA-N

Formula

C22H45Br

SMILES

CCCCCCCCCCCCCCCCCCCCCCBr

Molecular Weight¹

389.50

CAS

6938-66-5

Other Names

• Behenyl bromide
• Docosane, 1-bromo-
• n-Docosyl bromide

• 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_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (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).
• 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
ΔfG°	148.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-471.08	kJ/mol	Joback Calculated Property
ΔfusH°	58.02	kJ/mol	Joback Calculated Property
ΔvapH°	71.00	kJ/mol	Joback Calculated Property
log10WS	-9.46		Crippen Calculated Property
logPoct/wat	9.203		Crippen Calculated Property
McVol	338.340	ml/mol	McGowan Calculated Property
Pc	940.37	kPa	Joback Calculated Property
Tboil	768.92	K	Joback Calculated Property
Tc	945.29	K	Joback Calculated Property
Tfus	[313.20; 317.00]	K
Tfus	317.00	K	NIST
Tfus	313.20 ± 0.60	K	NIST
Vc	1.329	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1024.13; 1134.98]	J/mol×K	[768.92; 945.29]
Cp,gas	1024.13	J/mol×K	768.92	Joback Calculated Property
Cp,gas	1044.89	J/mol×K	798.32	Joback Calculated Property
Cp,gas	1064.68	J/mol×K	827.71	Joback Calculated Property
Cp,gas	1083.54	J/mol×K	857.11	Joback Calculated Property
Cp,gas	1101.51	J/mol×K	886.50	Joback Calculated Property
Cp,gas	1118.65	J/mol×K	915.90	Joback Calculated Property
Cp,gas	1134.98	J/mol×K	945.29	Joback Calculated Property
η	[0.0000610; 0.0015580]	Pa×s	[397.50; 768.92]
η	0.0015580	Pa×s	397.50	Joback Calculated Property
η	0.0006309	Pa×s	459.40	Joback Calculated Property
η	0.0003167	Pa×s	521.31	Joback Calculated Property
η	0.0001840	Pa×s	583.21	Joback Calculated Property
η	0.0001186	Pa×s	645.11	Joback Calculated Property
η	0.0000826	Pa×s	707.02	Joback Calculated Property
η	0.0000610	Pa×s	768.92	Joback Calculated Property
ΔfusH	44.98	kJ/mol	317.10	NIST

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[524.92; 733.17]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.48265e+01
Coefficient B			-5.73428e+03
Coefficient C			-1.30510e+02
Temperature range, min.			524.92
Temperature range, max.			733.17
Pvap	1.33	kPa	524.92	Calculated Property
Pvap	2.98	kPa	548.06	Calculated Property
Pvap	6.14	kPa	571.20	Calculated Property
Pvap	11.75	kPa	594.34	Calculated Property
Pvap	21.13	kPa	617.48	Calculated Property
Pvap	36.06	kPa	640.61	Calculated Property
Pvap	58.73	kPa	663.75	Calculated Property
Pvap	91.84	kPa	686.89	Calculated Property
Pvap	138.60	kPa	710.03	Calculated Property
Pvap	202.66	kPa	733.17	Calculated Property

Similar Compounds

Find more compounds similar to 1-Bromodocosane.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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