Dodecane, 1,12-dibromo- (CAS 3344-70-5)

InChI

InChI=1S/C12H24Br2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h1-12H2

InChI Key

ZJJATABWMGVVRZ-UHFFFAOYSA-N

Formula

C12H24Br2

SMILES

BrCCCCCCCCCCCCBr

Molecular Weight¹

328.13

CAS

3344-70-5

Other Names

1,12-Dibromododecane
Dodecamethylene dibromide

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_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.
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.

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Physical Properties

Property	Value	Unit	Source
ω	0.7936		Relay (1.0) Calculated Property
Δ_fG°	78.80	kJ/mol	Joback Calculated Property
Δ_fH°_gas	-275.13	kJ/mol	Relay (1.0) Calculated Property
Δ_fusH°	37.41	kJ/mol	Joback Calculated Property
Δ_vapH°	89.40	kJ/mol	Relay (1.0) Calculated Property
IE	9.88	eV	Relay (1.0) Calculated Property
log₁₀WS	-6.86		Relay (1.0) Calculated Property
logP_oct/wat	5.677		Crippen Calculated Property
McVol	214.940	ml/mol	McGowan Calculated Property
P_c	2007.30	kPa	Joback Calculated Property
I_np	1946.00		NIST
T_boil	575.18	K	Relay (1.0) Calculated Property
T_c	754.94	K	Relay (1.0) Calculated Property
T_fus	310.85	K	Relay (1.0) Calculated Property
V_c	0.822	m³/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
C_p,liquid	[432.62; 457.90]	J/mol×K	[310.65; 355.15]

C_p,liquid	432.62	J/mol×K	310.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
C_p,liquid	433.39	J/mol×K	312.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
C_p,liquid	434.17	J/mol×K	313.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
C_p,liquid	434.98	J/mol×K	315.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
C_p,liquid	435.79	J/mol×K	316.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
C_p,liquid	436.62	J/mol×K	318.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
C_p,liquid	437.46	J/mol×K	319.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
C_p,liquid	438.31	J/mol×K	321.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
C_p,liquid	439.17	J/mol×K	322.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
C_p,liquid	440.04	J/mol×K	324.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
C_p,liquid	440.91	J/mol×K	325.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
C_p,liquid	441.80	J/mol×K	327.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
C_p,liquid	442.68	J/mol×K	328.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
C_p,liquid	443.57	J/mol×K	330.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
C_p,liquid	444.47	J/mol×K	331.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
C_p,liquid	445.36	J/mol×K	333.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
C_p,liquid	446.26	J/mol×K	334.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
C_p,liquid	447.15	J/mol×K	336.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
C_p,liquid	448.04	J/mol×K	337.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
C_p,liquid	448.93	J/mol×K	339.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
C_p,liquid	449.82	J/mol×K	340.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
C_p,liquid	450.69	J/mol×K	342.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
C_p,liquid	451.57	J/mol×K	343.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
C_p,liquid	452.43	J/mol×K	345.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
C_p,liquid	453.29	J/mol×K	346.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
C_p,liquid	454.13	J/mol×K	348.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
C_p,liquid	454.96	J/mol×K	349.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
C_p,liquid	455.78	J/mol×K	351.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
C_p,liquid	456.59	J/mol×K	352.65	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
C_p,liquid	457.38	J/mol×K	354.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K
C_p,liquid	457.90	J/mol×K	355.15	Heat Capacity of alpha,omega-Bromochloroalkanes and ?,?-Dibromoalkanes: Their Dependence on the Hydrocarbon Chain Length and Temperature (285.15 to 355.15) K

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
T_boilr	488.20	K	2.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
C_p,gas	[288.02; 656.56]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is C_p,gas in J/mol×K, T in K
Coefficient A			8.36200e+00
Coefficient B			1.22020e+00
Coefficient C			-7.71800e-04
Coefficient D			1.99800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00

C_p,gas	288.02	J/mol×K	273.00	Calculated Property
C_p,gas	352.29	J/mol×K	353.78	Calculated Property
C_p,gas	409.26	J/mol×K	434.56	Calculated Property
C_p,gas	459.55	J/mol×K	515.33	Calculated Property
C_p,gas	503.80	J/mol×K	596.11	Calculated Property
C_p,gas	542.64	J/mol×K	676.89	Calculated Property
C_p,gas	576.71	J/mol×K	757.67	Calculated Property
C_p,gas	606.63	J/mol×K	838.44	Calculated Property
C_p,gas	633.04	J/mol×K	919.22	Calculated Property
C_p,gas	656.56	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0023816; 0.0002602]	Pa×s	[344.60; 555.44]	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			-1.18726e+01
Coefficient B			2.00992e+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.			344.60
Temperature range, max.			555.44

η	0.0023816	Pa×s	344.60	Calculated Property
η	0.0016430	Pa×s	368.03	Calculated Property
η	0.0011849	Pa×s	391.45	Calculated Property
η	0.0008867	Pa×s	414.88	Calculated Property
η	0.0006844	Pa×s	438.31	Calculated Property
η	0.0005423	Pa×s	461.74	Calculated Property
η	0.0004395	Pa×s	485.16	Calculated Property
η	0.0003632	Pa×s	508.59	Calculated Property
η	0.0003052	Pa×s	532.02	Calculated Property
η	0.0002602	Pa×s	555.44	Calculated Property

Property	Value	Unit	Temperature (K)	Source
P_vap	[1.33; 202.67]	kPa	[456.92; 604.60]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is P_vap in kPa, T in K
Coefficient A			1.72197e+01
Coefficient B			-5.92693e+03
Coefficient C			-1.06880e+02
Temperature range, min.			456.92
Temperature range, max.			604.60

P_vap	1.33	kPa	456.92	Calculated Property
P_vap	2.85	kPa	473.33	Calculated Property
P_vap	5.69	kPa	489.74	Calculated Property
P_vap	10.75	kPa	506.15	Calculated Property
P_vap	19.32	kPa	522.56	Calculated Property
P_vap	33.20	kPa	538.96	Calculated Property
P_vap	54.85	kPa	555.37	Calculated Property
P_vap	87.44	kPa	571.78	Calculated Property
P_vap	135.04	kPa	588.19	Calculated Property
P_vap	202.67	kPa	604.60	Calculated Property

Similar Compounds

Find more compounds similar to Dodecane, 1,12-dibromo-.

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