Chemical Properties of Tetradecane, 1-bromo- (CAS 112-71-0)

InChI

InChI=1S/C14H29Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-14H2,1H3

InChI Key

KOFZTCSTGIWCQG-UHFFFAOYSA-N

Formula

C14H29Br

SMILES

CCCCCCCCCCCCCCBr

Molecular Weight¹

277.28

CAS

112-71-0

Other Names

• 1-bromotetradecane
• 1-tetradecyl bromide
• myristyl bromide
• n-Tetradecyl bromide
• n-Tetradecyl-1-bromide
• tetradecyl bromide

• 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).
• 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).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• 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	0.7588		Relay (1.0) Calculated Property
ΔfG°	81.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-333.07	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.30	kJ/mol	Joback Calculated Property
ΔvapH°	87.04	kJ/mol	Relay (1.0) Calculated Property
IE	9.88	eV	Relay (1.0) Calculated Property
log10WS	-7.16		Relay (1.0) Calculated Property
logPoct/wat	6.082		Crippen Calculated Property
McVol	225.620	ml/mol	McGowan Calculated Property
Pc	1609.00	kPa	Joback Calculated Property
Inp	[1753.00; 1758.00]
Inp	1758.00		NIST
Inp	1753.00		NIST
Inp	1758.00		NIST
Ip	[2007.00; 2037.00]
Ip	2013.00		NIST
Ip	2007.00		NIST
Ip	2037.00		NIST
Tboil	580.20	K	NIST
Tc	738.39	K	Relay (1.0) Calculated Property
Tfus	278.45	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc	0.894	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	67.10	kJ/mol	541.00	NIST
ρl	[907.40; 1012.20]	kg/m3	[298.15; 423.15]
ρl	1012.20	kg/m3	298.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
ρl	1008.10	kg/m3	303.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
ρl	1003.90	kg/m3	308.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
ρl	999.80	kg/m3	313.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
ρl	995.70	kg/m3	318.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
ρl	991.60	kg/m3	323.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
ρl	987.40	kg/m3	328.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
ρl	983.30	kg/m3	333.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
ρl	979.10	kg/m3	338.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
ρl	974.90	kg/m3	343.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
ρl	970.80	kg/m3	348.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
ρl	966.60	kg/m3	353.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
ρl	962.40	kg/m3	358.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
ρl	958.20	kg/m3	363.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
ρl	954.00	kg/m3	368.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
ρl	949.80	kg/m3	373.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
ρl	945.60	kg/m3	378.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
ρl	941.30	kg/m3	383.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
ρl	937.10	kg/m3	388.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
ρl	932.90	kg/m3	393.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
ρl	928.60	kg/m3	398.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
ρl	924.40	kg/m3	403.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
ρl	920.10	kg/m3	408.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
ρl	915.90	kg/m3	413.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
ρl	911.60	kg/m3	418.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
ρl	907.40	kg/m3	423.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[448.00; 449.70]	K	[2.70; 2.70]
Tboilr	449.70	K	2.70	NIST
Tboilr	448.00	K	2.70	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[316.46; 750.67]	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			-1.64700e+00
Coefficient B			1.37202e+00
Coefficient C			-8.09200e-04
Coefficient D			1.89500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	316.46	J/mol×K	273.00	Calculated Property
Cp,gas	390.86	J/mol×K	353.78	Calculated Property
Cp,gas	457.31	J/mol×K	434.56	Calculated Property
Cp,gas	516.44	J/mol×K	515.33	Calculated Property
Cp,gas	568.82	J/mol×K	596.11	Calculated Property
Cp,gas	615.07	J/mol×K	676.89	Calculated Property
Cp,gas	655.78	J/mol×K	757.67	Calculated Property
Cp,gas	691.55	J/mol×K	838.44	Calculated Property
Cp,gas	722.98	J/mol×K	919.22	Calculated Property
Cp,gas	750.67	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0064150; 0.0002446]	Pa×s	[278.45; 530.76]	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			-1.19209e+01
Coefficient B			1.91346e+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.			278.45
Temperature range, max.			530.76
η	0.0064150	Pa×s	278.45	Calculated Property
η	0.0034215	Pa×s	306.48	Calculated Property
η	0.0020276	Pa×s	334.52	Calculated Property
η	0.0013028	Pa×s	362.55	Calculated Property
η	0.0008920	Pa×s	390.59	Calculated Property
η	0.0006425	Pa×s	418.62	Calculated Property
η	0.0004823	Pa×s	446.66	Calculated Property
η	0.0003745	Pa×s	474.69	Calculated Property
η	0.0002991	Pa×s	502.73	Calculated Property
η	0.0002446	Pa×s	530.76	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[444.12; 612.73]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.54925e+01
Coefficient B			-5.19535e+03
Coefficient C			-1.02432e+02
Temperature range, min.			444.12
Temperature range, max.			612.73
Pvap	1.33	kPa	444.12	Calculated Property
Pvap	2.94	kPa	462.85	Calculated Property
Pvap	5.99	kPa	481.59	Calculated Property
Pvap	11.42	kPa	500.32	Calculated Property
Pvap	20.54	kPa	519.06	Calculated Property
Pvap	35.13	kPa	537.79	Calculated Property
Pvap	57.48	kPa	556.53	Calculated Property
Pvap	90.45	kPa	575.26	Calculated Property
Pvap	137.48	kPa	594.00	Calculated Property
Pvap	202.66	kPa	612.73	Calculated Property

Property	Value	Unit	Temperature (K)	Source
γ	[0.03; 0.02]	N/m	[279.15; 451.15]	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			5.69126e-02
Coefficient B			-8.78000e-05
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			279.15
Temperature range, max.			451.15
γ	0.03	N/m	279.15	Calculated Property
γ	0.03	N/m	298.26	Calculated Property
γ	0.03	N/m	317.37	Calculated Property
γ	0.03	N/m	336.48	Calculated Property
γ	0.03	N/m	355.59	Calculated Property
γ	0.02	N/m	374.71	Calculated Property
γ	0.02	N/m	393.82	Calculated Property
γ	0.02	N/m	412.93	Calculated Property
γ	0.02	N/m	432.04	Calculated Property
γ	0.02	N/m	451.15	Calculated Property

Similar Compounds

Find more compounds similar to Tetradecane, 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
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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