Chemical Properties of 2-Bromo dodecane (CAS 13187-99-0)

InChI

InChI=1S/C12H25Br/c1-3-4-5-6-7-8-9-10-11-12(2)13/h12H,3-11H2,1-2H3

InChI Key

GIUUCQVKMWBSRT-UHFFFAOYSA-N

Formula

C12H25Br

SMILES

CCCCCCCCCCC(C)Br

Molecular Weight¹

249.23

CAS

13187-99-0

Other Names

• 2-bromododecane
• Dodecane, 2-bromo-

• 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).
• 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_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	0.6304		Relay (1.0) Calculated Property
ΔfG°	62.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-289.61	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.60	kJ/mol	Joback Calculated Property
ΔvapH°	70.12	kJ/mol	Relay (1.0) Calculated Property
IE	9.81	eV	Relay (1.0) Calculated Property
log10WS	-6.46		Relay (1.0) Calculated Property
logPoct/wat	5.301		Crippen Calculated Property
McVol	197.440	ml/mol	McGowan Calculated Property
Pc	1901.92	kPa	Joback Calculated Property
Inp	1505.00		NIST
I	[1702.00; 1702.00]
I	1702.00		NIST
I	1702.00		NIST
Tboil	534.97	K	Relay (1.0) Calculated Property
Tc	715.51	K	Relay (1.0) Calculated Property
Tfus	258.65	K	Relay (1.0) Calculated Property
Vc	0.762	m3/kmol	Relay (1.0) Calculated Property

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[273.72; 648.03]	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			-1.51100e+00
Coefficient B			1.18794e+00
Coefficient C			-7.03600e-04
Coefficient D			1.65200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	273.72	J/mol×K	273.00	Calculated Property
Cp,gas	338.01	J/mol×K	353.78	Calculated Property
Cp,gas	395.40	J/mol×K	434.56	Calculated Property
Cp,gas	446.43	J/mol×K	515.33	Calculated Property
Cp,gas	491.60	J/mol×K	596.11	Calculated Property
Cp,gas	531.45	J/mol×K	676.89	Calculated Property
Cp,gas	566.50	J/mol×K	757.67	Calculated Property
Cp,gas	597.26	J/mol×K	838.44	Calculated Property
Cp,gas	624.26	J/mol×K	919.22	Calculated Property
Cp,gas	648.03	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0053574; 0.0002599]	Pa×s	[269.80; 502.52]	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			-1.17636e+01
Coefficient B			1.76296e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			269.80
Temperature range, max.			502.52
η	0.0053574	Pa×s	269.80	Calculated Property
η	0.0030252	Pa×s	295.66	Calculated Property
η	0.0018728	Pa×s	321.52	Calculated Property
η	0.0012451	Pa×s	347.37	Calculated Property
η	0.0008760	Pa×s	373.23	Calculated Property
η	0.0006451	Pa×s	399.09	Calculated Property
η	0.0004930	Pa×s	424.95	Calculated Property
η	0.0003886	Pa×s	450.81	Calculated Property
η	0.0003143	Pa×s	476.67	Calculated Property
η	0.0002599	Pa×s	502.52	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[411.24; 573.75]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.52116e+01
Coefficient B			-4.77916e+03
Coefficient C			-9.10060e+01
Temperature range, min.			411.24
Temperature range, max.			573.75
Pvap	1.33	kPa	411.24	Calculated Property
Pvap	2.96	kPa	429.30	Calculated Property
Pvap	6.05	kPa	447.35	Calculated Property
Pvap	11.55	kPa	465.41	Calculated Property
Pvap	20.78	kPa	483.47	Calculated Property
Pvap	35.51	kPa	501.52	Calculated Property
Pvap	57.99	kPa	519.58	Calculated Property
Pvap	91.02	kPa	537.64	Calculated Property
Pvap	137.95	kPa	555.69	Calculated Property
Pvap	202.67	kPa	573.75	Calculated Property

Similar Compounds

Find more compounds similar to 2-Bromo dodecane.

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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