Chemical Properties of Nonane, 1-bromo- (CAS 693-58-3)

InChI

InChI=1S/C9H19Br/c1-2-3-4-5-6-7-8-9-10/h2-9H2,1H3

InChI Key

AYMUQTNXKPEMLM-UHFFFAOYSA-N

Formula

C9H19Br

SMILES

CCCCCCCCCBr

Molecular Weight¹

207.15

CAS

693-58-3

Other Names

• 1-Nonyl bromide
• 1-bromononane
• 1-n-Nonyl bromide
• Nonyl bromide
• n-Nonyl-1-bromide
• n-nonyl 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_fusH : Enthalpy of fusion at a given temperature (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_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	0.5801		Relay (1.0) Calculated Property
ΔfG°	39.22	kJ/mol	Joback Calculated Property
ΔfH°gas	-223.63	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.35	kJ/mol	Joback Calculated Property
ΔvapH°	61.61	kJ/mol	Relay (1.0) Calculated Property
IE	9.79	eV	Relay (1.0) Calculated Property
log10WS	-5.49		Relay (1.0) Calculated Property
logPoct/wat	4.132		Crippen Calculated Property
McVol	155.170	ml/mol	McGowan Calculated Property
Pc	2467.81	kPa	Joback Calculated Property
Inp	[1220.00; 1244.00]
Inp	1220.00		NIST
Inp	1240.00		NIST
Inp	1244.00		NIST
Inp	1231.00		NIST
Inp	1238.00		NIST
Inp	1220.00		NIST
Inp	1231.00		NIST
I	[1476.00; 1496.00]
I	1478.00		NIST
I	1476.00		NIST
I	1496.00		NIST
I	1496.00		NIST
Tboil	[474.00; 474.20]	K
Tboil	474.20	K	NIST
Tboil	474.00	K	NIST
Tc	673.37	K	Relay (1.0) Calculated Property
Tfus	[242.40; 244.20]	K
Tfus	244.15	K	KDB
Tfus	244.20 ± 0.20	K	NIST
Tfus	242.40 ± 0.20	K	NIST
Tfus	244.09 ± 0.25	K	NIST
Tfus	242.44 ± 0.15	K	NIST
Vc	0.607	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[287.30; 364.88]	J/mol×K	[250.00; 423.15]
Cp,liquid	287.30	J/mol×K	250.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	287.30	J/mol×K	260.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	302.55	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	303.54	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	304.62	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	305.57	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	306.69	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	307.68	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	308.30	J/mol×K	298.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
Cp,liquid	308.80	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	309.82	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	310.56	J/mol×K	303.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
Cp,liquid	310.95	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	311.91	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	312.82	J/mol×K	308.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
Cp,liquid	313.01	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	314.10	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	315.10	J/mol×K	313.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
Cp,liquid	315.18	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	316.32	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	317.36	J/mol×K	318.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
Cp,liquid	317.44	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	318.70	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	319.61	J/mol×K	323.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
Cp,liquid	319.80	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	320.96	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	321.87	J/mol×K	328.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
Cp,liquid	322.16	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	323.32	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	324.15	J/mol×K	333.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
Cp,liquid	324.63	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	325.00	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	326.41	J/mol×K	338.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
Cp,liquid	326.99	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	328.13	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	328.67	J/mol×K	343.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
Cp,liquid	329.39	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	330.49	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	330.92	J/mol×K	348.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
Cp,liquid	331.79	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	333.04	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	333.20	J/mol×K	353.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
Cp,liquid	333.74	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	335.46	J/mol×K	358.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
Cp,liquid	337.72	J/mol×K	363.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
Cp,liquid	339.98	J/mol×K	368.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
Cp,liquid	342.26	J/mol×K	373.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
Cp,liquid	344.51	J/mol×K	378.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
Cp,liquid	346.77	J/mol×K	383.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
Cp,liquid	349.03	J/mol×K	388.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
Cp,liquid	351.31	J/mol×K	393.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
Cp,liquid	353.57	J/mol×K	398.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
Cp,liquid	355.82	J/mol×K	403.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
Cp,liquid	358.08	J/mol×K	408.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
Cp,liquid	360.36	J/mol×K	413.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
Cp,liquid	362.62	J/mol×K	418.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
Cp,liquid	364.88	J/mol×K	423.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
ΔfusH	[30.12; 30.12]	kJ/mol	[243.20; 243.20]
ΔfusH	30.12	kJ/mol	243.20	NIST
ΔfusH	30.12	kJ/mol	243.20	NIST
ΔvapH	[52.20; 53.10]	kJ/mol	[450.50; 470.00]
ΔvapH	53.10	kJ/mol	450.50	NIST
ΔvapH	52.20	kJ/mol	470.00	NIST
csound,fluid	[808.79; 1329.91]	m/s	[253.46; 422.72]
csound,fluid	1329.91	m/s	253.46	Speed of Sound, Densities, and Isentropic Compressibilities of Liquid 1-Bromoalkanes at Temperatures from (243.15 to 423.15) K
csound,fluid	1262.72	m/s	273.29	Speed of Sound, Densities, and Isentropic Compressibilities of Liquid 1-Bromoalkanes at Temperatures from (243.15 to 423.15) K
csound,fluid	1165.07	m/s	303.15	Speed of Sound, Densities, and Isentropic Compressibilities of Liquid 1-Bromoalkanes at Temperatures from (243.15 to 423.15) K
csound,fluid	1101.12	m/s	323.14	Speed of Sound, Densities, and Isentropic Compressibilities of Liquid 1-Bromoalkanes at Temperatures from (243.15 to 423.15) K
csound,fluid	1009.85	m/s	353.10	Speed of Sound, Densities, and Isentropic Compressibilities of Liquid 1-Bromoalkanes at Temperatures from (243.15 to 423.15) K
csound,fluid	921.46	m/s	383.05	Speed of Sound, Densities, and Isentropic Compressibilities of Liquid 1-Bromoalkanes at Temperatures from (243.15 to 423.15) K
csound,fluid	864.42	m/s	402.98	Speed of Sound, Densities, and Isentropic Compressibilities of Liquid 1-Bromoalkanes at Temperatures from (243.15 to 423.15) K
csound,fluid	808.79	m/s	422.72	Speed of Sound, Densities, and Isentropic Compressibilities of Liquid 1-Bromoalkanes at Temperatures from (243.15 to 423.15) K

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[210.39; 492.72]	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			2.89800e+00
Coefficient B			8.97020e-01
Coefficient C			-5.37200e-04
Coefficient D			1.30000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	210.39	J/mol×K	273.00	Calculated Property
Cp,gas	258.76	J/mol×K	353.78	Calculated Property
Cp,gas	301.93	J/mol×K	434.56	Calculated Property
Cp,gas	340.29	J/mol×K	515.33	Calculated Property
Cp,gas	374.27	J/mol×K	596.11	Calculated Property
Cp,gas	404.27	J/mol×K	676.89	Calculated Property
Cp,gas	430.70	J/mol×K	757.67	Calculated Property
Cp,gas	453.98	J/mol×K	838.44	Calculated Property
Cp,gas	474.51	J/mol×K	919.22	Calculated Property
Cp,gas	492.72	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0050328; 0.0003184]	Pa×s	[243.46; 455.76]	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			-1.12175e+01
Coefficient B			1.44266e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			243.46
Temperature range, max.			455.76
η	0.0050328	Pa×s	243.46	Calculated Property
η	0.0029818	Pa×s	267.05	Calculated Property
η	0.0019233	Pa×s	290.63	Calculated Property
η	0.0013250	Pa×s	314.22	Calculated Property
η	0.0009616	Pa×s	337.81	Calculated Property
η	0.0007276	Pa×s	361.40	Calculated Property
η	0.0005698	Pa×s	384.99	Calculated Property
η	0.0004589	Pa×s	408.58	Calculated Property
η	0.0003785	Pa×s	432.17	Calculated Property
η	0.0003184	Pa×s	455.76	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[375.64; 496.39]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.76688e+01
Coefficient B			-5.16229e+03
Coefficient C			-7.86350e+01
Temperature range, min.			375.64
Temperature range, max.			496.39
Pvap	1.33	kPa	375.64	Calculated Property
Pvap	2.83	kPa	389.06	Calculated Property
Pvap	5.63	kPa	402.47	Calculated Property
Pvap	10.61	kPa	415.89	Calculated Property
Pvap	19.06	kPa	429.31	Calculated Property
Pvap	32.79	kPa	442.72	Calculated Property
Pvap	54.27	kPa	456.14	Calculated Property
Pvap	86.77	kPa	469.56	Calculated Property
Pvap	134.49	kPa	482.97	Calculated Property
Pvap	202.66	kPa	496.39	Calculated Property
Pvap	[3.94; 317.51]	kPa	[391.15; 549.15]	KDB Vapor Pressure Data
Equation			ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K
Coefficient A			9.69072e+01
Coefficient B			-1.03437e+04
Coefficient C			-1.17047e+01
Coefficient D			5.06259e-06
Coefficient E			0.00000e+00
Temperature range, min.			391.15
Temperature range, max.			549.15
Pvap	3.94	kPa	391.15	Calculated Property
Pvap	7.88	kPa	408.71	Calculated Property
Pvap	14.71	kPa	426.26	Calculated Property
Pvap	25.87	kPa	443.82	Calculated Property
Pvap	43.23	kPa	461.37	Calculated Property
Pvap	69.04	kPa	478.93	Calculated Property
Pvap	106.03	kPa	496.48	Calculated Property
Pvap	157.33	kPa	514.04	Calculated Property
Pvap	226.49	kPa	531.59	Calculated Property
Pvap	317.51	kPa	549.15	Calculated Property

Similar Compounds

Find more compounds similar to Nonane, 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
• Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD

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