Pentane, 1-bromo- (CAS 110-53-2)

InChI

InChI=1S/C5H11Br/c1-2-3-4-5-6/h2-5H2,1H3

InChI Key

YZWKKMVJZFACSU-UHFFFAOYSA-N

Formula

C5H11Br

SMILES

CCCCCBr

Molecular Weight¹

151.04

CAS

110-53-2

Other Names

1-BROMOPENTANE
1-Pentyl bromide
Amyl bromide
N-AMYL BROMIDE
PENTYLBROMIDE
Pentyl bromide
n-C5H11Br
n-Pentyl 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).
NFPA Fire : NFPA Fire Rating.
NFPA Health : NFPA Health Rating.
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.
Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
S°_liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
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).
Z_c : Critical Compressibility.
¹: Molecular weight from the IUPAC atomic weights tables.

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Physical Properties

Property	Value	Unit	Source
ω	0.3840		KDB
Δ_cH°_liquid	-3369.40 ± 1.40	kJ/mol	NIST
Δ_fG°	5.54	kJ/mol	Joback Calculated Property
Δ_fH°_gas	-129.80 ± 1.90	kJ/mol	NIST
Δ_fH°_liquid	-170.40 ± 1.50	kJ/mol	NIST
Δ_fusH°	13.99	kJ/mol	Joback Calculated Property
Δ_vapH°	40.69	kJ/mol	Relay (1.0) Calculated Property
IE	[10.01; 10.10]	eV
IE	10.10 ± 0.01	eV	NIST
IE	10.01	eV	NIST
IE	10.09	eV	NIST
IE	10.10 ± 0.02	eV	NIST
log₁₀WS	[-3.08; -3.07]
log₁₀WS	-3.07		Aq. Solubility Prediction
log₁₀WS	-3.08		Estimated Solubility
logP_oct/wat	2.571		Crippen Calculated Property
McVol	98.810	ml/mol	McGowan Calculated Property
NFPA Fire	3		KDB
NFPA Health	1		KDB
P_c	3770.00	kPa	KDB
I_np	[806.50; 859.00]
I_np	809.70		NIST
I_np	810.20		NIST
I_np	813.00		NIST
I_np	810.90		NIST
I_np	808.50		NIST
I_np	807.70		NIST
I_np	806.50		NIST
I_np	833.80		NIST
I_np	832.70		NIST
I_np	834.00		NIST
I_np	840.00		NIST
I_np	840.00		NIST
I_np	840.00		NIST
I_np	817.70		NIST
I_np	840.00		NIST
I_np	Outlier 859.00		NIST
I_np	830.00		NIST
I_np	848.00		NIST
I_np	835.00		NIST
I_np	823.00		NIST
I_np	836.00		NIST
I_np	822.00		NIST
I_np	819.00		NIST
I_np	843.60		NIST
I_np	830.00		NIST
I_np	809.70		NIST
I_np	807.70		NIST
I_np	840.00		NIST
I_np	Outlier 859.00		NIST
I_np	836.00		NIST
I	[1042.00; 1091.00]
I	1068.00		NIST
I	1058.00		NIST
I	1044.00		NIST
I	Outlier 1091.00		NIST
I	1055.00		NIST
I	1052.00		NIST
I	1042.00		NIST
I	1042.00		NIST
S°_liquid	406.77	J/mol×K	NIST
T_boil	[391.10; 403.00]	K
T_boil	402.70	K	KDB
T_boil	403.00	K	NIST
T_boil	402.80	K	NIST
T_boil	402.90	K	NIST
T_boil	402.00 ± 0.40	K	NIST
T_boil	402.70 ± 0.40	K	NIST
T_boil	402.73 ± 0.15	K	NIST
T_boil	391.40 ± 0.50	K	NIST
T_boil	391.10 ± 0.60	K	NIST
T_boil	391.80 ± 1.50	K	NIST
T_c	564.80	K	KDB
T_fus	[178.48; 185.20]	K
T_fus	185.00	K	KDB
T_fus	180.48	K	Aq. Solubility Prediction
T_fus	185.20 ± 0.20	K	NIST
T_fus	184.80 ± 5.00	K	NIST
T_fus	178.48 ± 0.20	K	NIST
T_fus	185.10 ± 0.20	K	NIST
V_c	0.378	m³/kmol	KDB
Z_c	0.3030590		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
C_p,gas	[161.36; 211.43]	J/mol×K	[379.96; 564.76]

C_p,gas	161.36	J/mol×K	379.96	Joback Calculated Property
C_p,gas	170.69	J/mol×K	410.76	Joback Calculated Property
C_p,gas	179.61	J/mol×K	441.56	Joback Calculated Property
C_p,gas	188.13	J/mol×K	472.36	Joback Calculated Property
C_p,gas	196.26	J/mol×K	503.16	Joback Calculated Property
C_p,gas	204.02	J/mol×K	533.96	Joback Calculated Property
C_p,gas	211.43	J/mol×K	564.76	Joback Calculated Property
C_p,liquid	[171.59; 219.70]	J/mol×K	[206.60; 353.15]

C_p,liquid	174.90	J/mol×K	206.60	NIST
C_p,liquid	187.88	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
C_p,liquid	188.46	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
C_p,liquid	189.17	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
C_p,liquid	171.59	J/mol×K	290.70	NIST
C_p,liquid	189.85	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
C_p,liquid	190.33	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
C_p,liquid	190.94	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
C_p,liquid	219.70	J/mol×K	298.15	NIST
C_p,liquid	191.57	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
C_p,liquid	192.17	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
C_p,liquid	193.01	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
C_p,liquid	193.53	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
C_p,liquid	194.17	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
C_p,liquid	194.86	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
C_p,liquid	195.60	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
C_p,liquid	196.21	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
C_p,liquid	196.98	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
C_p,liquid	197.61	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
C_p,liquid	198.35	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
C_p,liquid	199.09	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
C_p,liquid	199.80	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
C_p,liquid	200.47	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
C_p,liquid	201.48	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
C_p,liquid	201.57	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
C_p,liquid	202.76	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
C_p,liquid	203.58	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
C_p,liquid	204.33	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
C_p,liquid	205.07	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
C_p,liquid	205.89	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
C_p,liquid	206.69	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
C_p,liquid	207.05	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
η	[0.0003591; 0.0038476]	Pa×s	[205.91; 379.96]

η	0.0038476	Pa×s	205.91	Joback Calculated Property
η	0.0020303	Pa×s	234.92	Joback Calculated Property
η	0.0012330	Pa×s	263.93	Joback Calculated Property
η	0.0008265	Pa×s	292.94	Joback Calculated Property
η	0.0005954	Pa×s	321.94	Joback Calculated Property
η	0.0004529	Pa×s	350.95	Joback Calculated Property
η	0.0003591	Pa×s	379.96	Joback Calculated Property
Δ_fusH	[11.46; 14.37]	kJ/mol	[185.10; 185.10]
Δ_fusH	11.46	kJ/mol	185.10	NIST
Δ_fusH	14.37	kJ/mol	185.10	NIST
Δ_fusH	14.37	kJ/mol	185.10	NIST
Δ_fusH	14.36	kJ/mol	185.10	NIST
Δ_vapH	[34.48; 41.00]	kJ/mol	[368.00; 402.90]
Δ_vapH	41.00	kJ/mol	368.00	NIST
Δ_vapH	34.48	kJ/mol	402.70	KDB
Δ_vapH	35.01	kJ/mol	402.90	NIST
ρ_l	[1083.40; 1260.30]	kg/m³	[253.15; 393.15]

ρ_l	1260.30	kg/m³	253.15	Density of Some 1-Bromoalkanes within the Temperature Range from (243.15 to 423.15) K
ρ_l	1249.90	kg/m³	263.15	Density of Some 1-Bromoalkanes within the Temperature Range from (243.15 to 423.15) K
ρ_l	1239.60	kg/m³	273.15	Density of Some 1-Bromoalkanes within the Temperature Range from (243.15 to 423.15) K
ρ_l	1214.90	kg/m³	293.15	Density of Some 1-Bromoalkanes within the Temperature Range from (243.15 to 423.15) K
ρ_l	1208.50	kg/m³	298.15	Density of Some 1-Bromoalkanes within the Temperature Range from (243.15 to 423.15) K
ρ_l	1177.10	kg/m³	323.15	Density of Some 1-Bromoalkanes within the Temperature Range from (243.15 to 423.15) K
ρ_l	1151.00	kg/m³	343.15	Density of Some 1-Bromoalkanes within the Temperature Range from (243.15 to 423.15) K
ρ_l	1124.70	kg/m³	363.15	Density of Some 1-Bromoalkanes within the Temperature Range from (243.15 to 423.15) K
ρ_l	1097.40	kg/m³	383.15	Density of Some 1-Bromoalkanes within the Temperature Range from (243.15 to 423.15) K
ρ_l	1083.40	kg/m³	393.15	Density of Some 1-Bromoalkanes within the Temperature Range from (243.15 to 423.15) K
Δ_fusS	[62.00; 77.61]	J/mol×K	[185.10; 185.10]
Δ_fusS	62.00	J/mol×K	185.10	NIST
Δ_fusS	77.61	J/mol×K	185.10	NIST
Δ_fusS	77.60	J/mol×K	185.10	NIST
c_sound,fluid	[666.58; 1240.04]	m/s	[243.73; 423.48]

c_sound,fluid	1240.04	m/s	243.73	Speed of Sound, Densities, and Isentropic Compressibilities of Liquid 1-Bromoalkanes at Temperatures from (243.15 to 423.15) K
c_sound,fluid	1137.50	m/s	273.32	Speed of Sound, Densities, and Isentropic Compressibilities of Liquid 1-Bromoalkanes at Temperatures from (243.15 to 423.15) K
c_sound,fluid	1037.13	m/s	303.22	Speed of Sound, Densities, and Isentropic Compressibilities of Liquid 1-Bromoalkanes at Temperatures from (243.15 to 423.15) K
c_sound,fluid	972.37	m/s	323.17	Speed of Sound, Densities, and Isentropic Compressibilities of Liquid 1-Bromoalkanes at Temperatures from (243.15 to 423.15) K
c_sound,fluid	877.57	m/s	353.18	Speed of Sound, Densities, and Isentropic Compressibilities of Liquid 1-Bromoalkanes at Temperatures from (243.15 to 423.15) K
c_sound,fluid	785.49	m/s	383.23	Speed of Sound, Densities, and Isentropic Compressibilities of Liquid 1-Bromoalkanes at Temperatures from (243.15 to 423.15) K
c_sound,fluid	725.54	m/s	403.28	Speed of Sound, Densities, and Isentropic Compressibilities of Liquid 1-Bromoalkanes at Temperatures from (243.15 to 423.15) K
c_sound,fluid	666.58	m/s	423.48	Speed of Sound, Densities, and Isentropic Compressibilities of Liquid 1-Bromoalkanes at Temperatures from (243.15 to 423.15) K

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
T_boilr	294.20	K	1.30	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
P_vap	[1.33; 202.67]	kPa	[300.87; 421.19]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.74893e+01
Coefficient B			-5.01695e+03
Coefficient C			-9.21200e+00
Temperature range, min.			300.87
Temperature range, max.			421.19

P_vap	1.33	kPa	300.87	Calculated Property
P_vap	2.83	kPa	314.24	Calculated Property
P_vap	5.65	kPa	327.61	Calculated Property
P_vap	10.67	kPa	340.98	Calculated Property
P_vap	19.16	kPa	354.35	Calculated Property
P_vap	32.95	kPa	367.71	Calculated Property
P_vap	54.50	kPa	381.08	Calculated Property
P_vap	87.04	kPa	394.45	Calculated Property
P_vap	134.72	kPa	407.82	Calculated Property
P_vap	202.67	kPa	421.19	Calculated Property
P_vap	[1.31; 3920.12]	kPa	[294.15; 564.76]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + Cln(T) + DT^2
Coefficient A			2.04728e+02
Coefficient B			-1.21476e+04
Coefficient C			-2.91790e+01
Coefficient D			3.11793e-05
Temperature range, min.			294.15
Temperature range, max.			564.76

P_vap	1.31	kPa	294.15	Calculated Property
P_vap	6.31	kPa	324.22	Calculated Property
P_vap	21.55	kPa	354.29	Calculated Property
P_vap	58.46	kPa	384.35	Calculated Property
P_vap	135.98	kPa	414.42	Calculated Property
P_vap	286.23	kPa	444.49	Calculated Property
P_vap	566.82	kPa	474.56	Calculated Property
P_vap	1086.48	kPa	504.62	Calculated Property
P_vap	2058.97	kPa	534.69	Calculated Property
P_vap	3920.12	kPa	564.76	Calculated Property

Similar Compounds

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

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Chemical Properties of Pentane, 1-bromo- (CAS 110-53-2)