Octane, 1-bromo- (CAS 111-83-1)

InChI

InChI=1S/C8H17Br/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3

InChI Key

VMKOFRJSULQZRM-UHFFFAOYSA-N

Formula

C8H17Br

SMILES

CCCCCCCCBr

Molecular Weight¹

193.13

CAS

111-83-1

Other Names

1-Octylbromide
1-bromooctane
n-Octyl bromide
octyl bromide

ω : Acentric Factor.
Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
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_fH°_liquid : Liquid phase 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).
ρ_l : Liquid Density (kg/m³).
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.

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Physical Properties

Property	Value	Unit	Source
ω	0.5424		Relay (1.0) Calculated Property
Δ_cH°_liquid	-5332.60 ± 2.30	kJ/mol	NIST
Δ_fG°	30.80	kJ/mol	Joback Calculated Property
Δ_fH°_gas	-190.10 ± 2.30	kJ/mol	NIST
Δ_fH°_liquid	-245.20 ± 2.30	kJ/mol	NIST
Δ_fusH°	21.76	kJ/mol	Joback Calculated Property
Δ_vapH°	[55.10; 55.80]	kJ/mol
Δ_vapH°	55.77	kJ/mol	NIST
Δ_vapH°	55.10	kJ/mol	NIST
Δ_vapH°	55.77 ± 0.25	kJ/mol	NIST
Δ_vapH°	55.80 ± 0.10	kJ/mol	NIST
IE	[9.54; 9.71]	eV
IE	9.71	eV	NIST
IE	9.54 ± 0.05	eV	NIST
log₁₀WS	[-5.06; -5.06]
log₁₀WS	-5.06		Aq. Solubility Prediction
log₁₀WS	-5.06		Estimated Solubility
logP_oct/wat	3.742		Crippen Calculated Property
McVol	141.080	ml/mol	McGowan Calculated Property
P_c	2721.17	kPa	Joback Calculated Property
I_np	[1118.00; 1142.00]
I_np	1118.00		NIST
I_np	1119.00		NIST
I_np	1121.00		NIST
I_np	1122.00		NIST
I_np	1124.00		NIST
I_np	1126.00		NIST
I_np	1129.00		NIST
I_np	1130.00		NIST
I_np	1132.00		NIST
I_np	1133.00		NIST
I_np	1119.00		NIST
I_np	1138.00		NIST
I_np	1142.00		NIST
I_np	1133.00		NIST
I_np	1132.00		NIST
I_np	1138.00		NIST
I	[1351.00; 1385.00]
I	1365.00		NIST
I	1364.00		NIST
I	1351.00		NIST
I	1373.00		NIST
I	1368.00		NIST
I	1385.00		NIST
I	1385.00		NIST
T_boil	[471.00; 474.65]	K
T_boil	474.65	K	KDB
T_boil	474.00	K	NIST
T_boil	474.00	K	NIST
T_boil	474.00	K	NIST
T_boil	474.00 ± 6.00	K	NIST
T_boil	Outlier 471.00 ± 5.00	K	NIST
T_c	655.31	K	Relay (1.0) Calculated Property
T_fus	[218.15; 218.20]	K
T_fus	218.15	K	KDB
T_fus	218.20 ± 0.20	K	NIST
V_c	0.549	m³/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
C_p,gas	[277.10; 346.83]	J/mol×K	[448.60; 629.52]

C_p,gas	277.10	J/mol×K	448.60	Joback Calculated Property
C_p,gas	290.08	J/mol×K	478.75	Joback Calculated Property
C_p,gas	302.49	J/mol×K	508.91	Joback Calculated Property
C_p,gas	314.35	J/mol×K	539.06	Joback Calculated Property
C_p,gas	325.68	J/mol×K	569.21	Joback Calculated Property
C_p,gas	336.50	J/mol×K	599.37	Joback Calculated Property
C_p,gas	346.83	J/mol×K	629.52	Joback Calculated Property
C_p,liquid	[260.80; 335.96]	J/mol×K	[220.00; 423.15]

C_p,liquid	260.80	J/mol×K	220.00	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
C_p,liquid	260.80	J/mol×K	230.00	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
C_p,liquid	272.15	J/mol×K	298.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
C_p,liquid	274.70	J/mol×K	303.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
C_p,liquid	277.25	J/mol×K	308.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
C_p,liquid	279.80	J/mol×K	313.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
C_p,liquid	282.35	J/mol×K	318.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
C_p,liquid	284.92	J/mol×K	323.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
C_p,liquid	287.47	J/mol×K	328.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
C_p,liquid	290.02	J/mol×K	333.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
C_p,liquid	292.56	J/mol×K	338.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
C_p,liquid	295.11	J/mol×K	343.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
C_p,liquid	297.66	J/mol×K	348.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
C_p,liquid	300.23	J/mol×K	353.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
C_p,liquid	302.78	J/mol×K	358.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
C_p,liquid	305.33	J/mol×K	363.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
C_p,liquid	307.88	J/mol×K	368.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
C_p,liquid	310.43	J/mol×K	373.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
C_p,liquid	313.00	J/mol×K	378.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
C_p,liquid	315.55	J/mol×K	383.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
C_p,liquid	318.10	J/mol×K	388.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
C_p,liquid	320.64	J/mol×K	393.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
C_p,liquid	323.19	J/mol×K	398.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
C_p,liquid	325.76	J/mol×K	403.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
C_p,liquid	328.31	J/mol×K	408.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
C_p,liquid	330.86	J/mol×K	413.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
C_p,liquid	333.41	J/mol×K	418.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
C_p,liquid	335.96	J/mol×K	423.15	Isobaric heat capacity, isothermal compressibility and fluctuational properties of 1- bromoalkanes
η	[0.0003089; 0.0042394]	Pa×s	[239.72; 448.60]

η	0.0042394	Pa×s	239.72	Joback Calculated Property
η	0.0020773	Pa×s	274.53	Joback Calculated Property
η	0.0011952	Pa×s	309.35	Joback Calculated Property
η	0.0007690	Pa×s	344.16	Joback Calculated Property
η	0.0005366	Pa×s	378.97	Joback Calculated Property
η	0.0003977	Pa×s	413.79	Joback Calculated Property
η	0.0003089	Pa×s	448.60	Joback Calculated Property
Δ_fusH	[24.69; 24.69]	kJ/mol	[218.20; 218.20]
Δ_fusH	24.69	kJ/mol	218.20	NIST
Δ_fusH	24.69	kJ/mol	218.20	NIST
Δ_vapH	49.30	kJ/mol	424.00	NIST
ρ_l	[1008.40; 1151.10]	kg/m³	[253.15; 393.15]

ρ_l	1151.10	kg/m³	253.15	Density of Some 1-Bromoalkanes within the Temperature Range from (243.15 to 423.15) K
ρ_l	1140.90	kg/m³	263.15	Density of Some 1-Bromoalkanes within the Temperature Range from (243.15 to 423.15) K
ρ_l	1131.20	kg/m³	273.15	Density of Some 1-Bromoalkanes within the Temperature Range from (243.15 to 423.15) K
ρ_l	1121.20	kg/m³	283.15	Density of Some 1-Bromoalkanes within the Temperature Range from (243.15 to 423.15) K
ρ_l	1111.00	kg/m³	293.15	Density of Some 1-Bromoalkanes within the Temperature Range from (243.15 to 423.15) K
ρ_l	1106.00	kg/m³	298.15	Density of Some 1-Bromoalkanes within the Temperature Range from (243.15 to 423.15) K
ρ_l	1080.60	kg/m³	323.15	Density of Some 1-Bromoalkanes within the Temperature Range from (243.15 to 423.15) K
ρ_l	1060.50	kg/m³	343.15	Density of Some 1-Bromoalkanes within the Temperature Range from (243.15 to 423.15) K
ρ_l	1039.50	kg/m³	363.15	Density of Some 1-Bromoalkanes within the Temperature Range from (243.15 to 423.15) K
ρ_l	1008.40	kg/m³	393.15	Density of Some 1-Bromoalkanes within the Temperature Range from (243.15 to 423.15) K
c_sound,fluid	[778.72; 1336.33]	m/s	[243.61; 423.04]

c_sound,fluid	1336.33	m/s	243.61	Speed of Sound, Densities, and Isentropic Compressibilities of Liquid 1-Bromoalkanes at Temperatures from (243.15 to 423.15) K
c_sound,fluid	1235.42	m/s	273.28	Speed of Sound, Densities, and Isentropic Compressibilities of Liquid 1-Bromoalkanes at Temperatures from (243.15 to 423.15) K
c_sound,fluid	1137.20	m/s	303.16	Speed of Sound, Densities, and Isentropic Compressibilities of Liquid 1-Bromoalkanes at Temperatures from (243.15 to 423.15) K
c_sound,fluid	1073.82	m/s	323.02	Speed of Sound, Densities, and Isentropic Compressibilities of Liquid 1-Bromoalkanes at Temperatures from (243.15 to 423.15) K
c_sound,fluid	981.92	m/s	352.91	Speed of Sound, Densities, and Isentropic Compressibilities of Liquid 1-Bromoalkanes at Temperatures from (243.15 to 423.15) K
c_sound,fluid	892.87	m/s	382.88	Speed of Sound, Densities, and Isentropic Compressibilities of Liquid 1-Bromoalkanes at Temperatures from (243.15 to 423.15) K
c_sound,fluid	835.51	m/s	402.55	Speed of Sound, Densities, and Isentropic Compressibilities of Liquid 1-Bromoalkanes at Temperatures from (243.15 to 423.15) K
c_sound,fluid	778.72	m/s	423.04	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
P_vap	[1.33; 202.64]	kPa	[359.16; 501.52]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.54132e+01
Coefficient B			-4.32973e+03
Coefficient C			-7.29080e+01
Temperature range, min.			359.16
Temperature range, max.			501.52

P_vap	1.33	kPa	359.16	Calculated Property
P_vap	2.94	kPa	374.98	Calculated Property
P_vap	6.01	kPa	390.80	Calculated Property
P_vap	11.46	kPa	406.61	Calculated Property
P_vap	20.61	kPa	422.43	Calculated Property
P_vap	35.23	kPa	438.25	Calculated Property
P_vap	57.62	kPa	454.07	Calculated Property
P_vap	90.60	kPa	469.88	Calculated Property
P_vap	137.60	kPa	485.70	Calculated Property
P_vap	202.64	kPa	501.52	Calculated Property
P_vap	[3.85; 104.33]	kPa	[373.15; 475.15]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + Cln(T) + DT^2
Coefficient A			1.05240e+02
Coefficient B			-1.01903e+04
Coefficient C			-1.30951e+01
Coefficient D			6.94001e-06
Temperature range, min.			373.15
Temperature range, max.			475.15

P_vap	3.85	kPa	373.15	Calculated Property
P_vap	6.18	kPa	384.48	Calculated Property
P_vap	9.60	kPa	395.82	Calculated Property
P_vap	14.47	kPa	407.15	Calculated Property
P_vap	21.22	kPa	418.48	Calculated Property
P_vap	30.38	kPa	429.82	Calculated Property
P_vap	42.55	kPa	441.15	Calculated Property
P_vap	58.40	kPa	452.48	Calculated Property
P_vap	78.71	kPa	463.82	Calculated Property
P_vap	104.33	kPa	475.15	Calculated Property

Similar Compounds

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

Mixtures

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Chemical Properties of Octane, 1-bromo- (CAS 111-83-1)