Chemical Properties of Decane, 1-bromo- (CAS 112-29-8)

InChI

InChI=1S/C10H21Br/c1-2-3-4-5-6-7-8-9-10-11/h2-10H2,1H3

InChI Key

MYMSJFSOOQERIO-UHFFFAOYSA-N

Formula

C10H21Br

SMILES

CCCCCCCCCCBr

Molecular Weight¹

221.18

CAS

112-29-8

Other Names

• 1-Decyl bromide
• 1-bromodecane
• decyl bromide
• n-Decyl bromide

• 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).
• 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).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• c_sound,fluid : Speed of sound in fluid (m/s).
• 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	0.6168		Relay (1.0) Calculated Property
ΔfG°	47.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-245.94	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	26.94	kJ/mol	Joback Calculated Property
ΔvapH°	74.77 ± 0.38	kJ/mol	NIST
IE	9.80	eV	Relay (1.0) Calculated Property
log10WS	-5.91		Relay (1.0) Calculated Property
logPoct/wat	4.522		Crippen Calculated Property
McVol	169.260	ml/mol	McGowan Calculated Property
Pc	2248.26	kPa	Joback Calculated Property
Inp	[1326.00; 1370.00]
Inp	1326.00		NIST
Inp	1344.00		NIST
Inp	Outlier 1370.00		NIST
Inp	1345.00		NIST
Inp	1332.00		NIST
Inp	1326.00		NIST
Inp	1344.00		NIST
Inp	1326.00		NIST
Inp	1344.00		NIST
Inp	1345.00		NIST
I	[1578.00; 1583.00]
I	1583.00		NIST
I	1579.00		NIST
I	1578.00		NIST
I	1578.00		NIST
Tboil	[511.00; 513.80]	K
Tboil	511.20	K	NIST
Tboil	511.00	K	NIST
Tboil	513.80	K	NIST
Tc	689.45	K	Relay (1.0) Calculated Property
Tfus	[243.95; 244.00]	K
Tfus	243.95	K	KDB
Tfus	244.00 ± 0.30	K	NIST
Vc	0.664	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[365.07; 444.66]	J/mol×K	[494.56; 672.34]
Cp,gas	365.07	J/mol×K	494.56	Joback Calculated Property
Cp,gas	379.88	J/mol×K	524.19	Joback Calculated Property
Cp,gas	394.04	J/mol×K	553.82	Joback Calculated Property
Cp,gas	407.58	J/mol×K	583.45	Joback Calculated Property
Cp,gas	420.51	J/mol×K	613.08	Joback Calculated Property
Cp,gas	432.87	J/mol×K	642.71	Joback Calculated Property
Cp,gas	444.66	J/mol×K	672.34	Joback Calculated Property
Cp,liquid	[332.60; 396.77]	J/mol×K	[284.15; 423.15]
Cp,liquid	332.60	J/mol×K	284.15	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	333.65	J/mol×K	286.65	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	335.00	J/mol×K	289.15	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	336.08	J/mol×K	291.65	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	336.90	J/mol×K	294.15	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	338.20	J/mol×K	296.65	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	334.38	J/mol×K	298.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
Cp,liquid	339.29	J/mol×K	299.15	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	340.37	J/mol×K	301.65	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	336.85	J/mol×K	303.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
Cp,liquid	341.48	J/mol×K	304.15	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	342.74	J/mol×K	306.65	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	339.35	J/mol×K	308.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
Cp,liquid	343.89	J/mol×K	309.15	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	345.13	J/mol×K	311.65	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	341.85	J/mol×K	313.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
Cp,liquid	346.34	J/mol×K	314.15	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	347.51	J/mol×K	316.65	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	344.35	J/mol×K	318.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
Cp,liquid	348.84	J/mol×K	319.15	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	350.10	J/mol×K	321.65	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	346.85	J/mol×K	323.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
Cp,liquid	351.41	J/mol×K	324.15	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	352.71	J/mol×K	326.65	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	349.35	J/mol×K	328.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
Cp,liquid	354.02	J/mol×K	329.15	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	355.32	J/mol×K	331.65	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	351.85	J/mol×K	333.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
Cp,liquid	356.14	J/mol×K	334.15	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	357.34	J/mol×K	336.65	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	354.33	J/mol×K	338.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
Cp,liquid	359.30	J/mol×K	339.15	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	360.70	J/mol×K	341.65	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	356.83	J/mol×K	343.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
Cp,liquid	362.13	J/mol×K	344.15	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	363.37	J/mol×K	346.65	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	359.33	J/mol×K	348.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
Cp,liquid	364.86	J/mol×K	349.15	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	366.38	J/mol×K	351.65	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	367.07	J/mol×K	353.15	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	361.82	J/mol×K	353.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
Cp,liquid	364.32	J/mol×K	358.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
Cp,liquid	366.82	J/mol×K	363.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
Cp,liquid	369.32	J/mol×K	368.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
Cp,liquid	371.80	J/mol×K	373.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
Cp,liquid	374.30	J/mol×K	378.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
Cp,liquid	376.80	J/mol×K	383.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
Cp,liquid	379.30	J/mol×K	388.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
Cp,liquid	381.80	J/mol×K	393.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
Cp,liquid	384.30	J/mol×K	398.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
Cp,liquid	386.80	J/mol×K	403.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
Cp,liquid	389.27	J/mol×K	408.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
Cp,liquid	391.77	J/mol×K	413.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
Cp,liquid	394.27	J/mol×K	418.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
Cp,liquid	396.77	J/mol×K	423.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
η	[0.0002629; 0.0041233]	Pa×s	[262.26; 494.56]
η	0.0041233	Pa×s	262.26	Joback Calculated Property
η	0.0019403	Pa×s	300.98	Joback Calculated Property
η	0.0010842	Pa×s	339.69	Joback Calculated Property
η	0.0006825	Pa×s	378.41	Joback Calculated Property
η	0.0004682	Pa×s	417.13	Joback Calculated Property
η	0.0003424	Pa×s	455.84	Joback Calculated Property
η	0.0002629	Pa×s	494.56	Joback Calculated Property
ΔvapH	[56.10; 56.60]	kJ/mol	[468.00; 476.50]
ΔvapH	56.10	kJ/mol	468.00	NIST
ΔvapH	56.60	kJ/mol	476.50	NIST
csound,fluid	[833.21; 1123.81]	m/s	[323.20; 423.27]
csound,fluid	1123.81	m/s	323.20	Speed of Sound, Densities, and Isentropic Compressibilities of Liquid 1-Bromoalkanes at Temperatures from (243.15 to 423.15) K
csound,fluid	1032.24	m/s	353.19	Speed of Sound, Densities, and Isentropic Compressibilities of Liquid 1-Bromoalkanes at Temperatures from (243.15 to 423.15) K
csound,fluid	944.49	m/s	383.22	Speed of Sound, Densities, and Isentropic Compressibilities of Liquid 1-Bromoalkanes at Temperatures from (243.15 to 423.15) K
csound,fluid	888.22	m/s	403.23	Speed of Sound, Densities, and Isentropic Compressibilities of Liquid 1-Bromoalkanes at Temperatures from (243.15 to 423.15) K
csound,fluid	833.21	m/s	423.27	Speed of Sound, Densities, and Isentropic Compressibilities of Liquid 1-Bromoalkanes at Temperatures from (243.15 to 423.15) K

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[391.00; 539.76]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.56804e+01
Coefficient B			-4.72600e+03
Coefficient C			-8.39720e+01
Temperature range, min.			391.00
Temperature range, max.			539.76
Pvap	1.33	kPa	391.00	Calculated Property
Pvap	2.93	kPa	407.53	Calculated Property
Pvap	5.95	kPa	424.06	Calculated Property
Pvap	11.34	kPa	440.59	Calculated Property
Pvap	20.39	kPa	457.12	Calculated Property
Pvap	34.89	kPa	473.64	Calculated Property
Pvap	57.15	kPa	490.17	Calculated Property
Pvap	90.08	kPa	506.70	Calculated Property
Pvap	137.19	kPa	523.23	Calculated Property
Pvap	202.66	kPa	539.76	Calculated Property
Pvap	[1.35; 321.17]	kPa	[383.15; 570.15]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.06974e+02
Coefficient B			-1.13131e+04
Coefficient C			-1.31064e+01
Coefficient D			5.57428e-06
Temperature range, min.			383.15
Temperature range, max.			570.15
Pvap	1.35	kPa	383.15	Calculated Property
Pvap	3.39	kPa	403.93	Calculated Property
Pvap	7.61	kPa	424.71	Calculated Property
Pvap	15.60	kPa	445.48	Calculated Property
Pvap	29.58	kPa	466.26	Calculated Property
Pvap	52.52	kPa	487.04	Calculated Property
Pvap	88.17	kPa	507.82	Calculated Property
Pvap	141.09	kPa	528.59	Calculated Property
Pvap	216.67	kPa	549.37	Calculated Property
Pvap	321.17	kPa	570.15	Calculated Property

Similar Compounds

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

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
• Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
• Speed of Sound, Densities, and Isentropic Compressibilities of Liquid 1-Bromoalkanes at Temperatures from (243.15 to 423.15) K
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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