Chemical Properties of Benzene, undecyl- (CAS 6742-54-7)

InChI

InChI=1S/C17H28/c1-2-3-4-5-6-7-8-9-11-14-17-15-12-10-13-16-17/h10,12-13,15-16H,2-9,11,14H2,1H3

InChI Key

XBEADGFTLHRJRB-UHFFFAOYSA-N

Formula

C17H28

SMILES

CCCCCCCCCCCc1ccccc1

Molecular Weight¹

232.40

CAS

6742-54-7

Other Names

• 1-PHENYLUNDECANE
• Phenylundecane
• UNDECANYLBENZENE
• Undecane, 1-phenyl-
• Undecylbenzene
• n-Undecylbenzene

• 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).
• 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.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_fus : Melting point (K).
• V_c : Critical Volume (m³/kmol).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.7220		KDB
ΔfG°	204.67	kJ/mol	Joback Calculated Property
ΔfH°gas	-157.68	kJ/mol	Joback Calculated Property
ΔfusH°	33.83	kJ/mol	Joback Calculated Property
ΔvapH°	[82.40; 84.70]	kJ/mol
ΔvapH°	82.40 ± 0.40	kJ/mol	NIST
ΔvapH°	84.70	kJ/mol	NIST
log10WS	-6.04		Crippen Calculated Property
logPoct/wat	5.760		Crippen Calculated Property
McVol	226.630	ml/mol	McGowan Calculated Property
Pc	1670.00	kPa	KDB
Inp	[1760.12; 1789.05]
Inp	1760.12		NIST
Inp	1765.33		NIST
Inp	1769.12		NIST
Inp	1779.75		NIST
Inp	1785.43		NIST
Inp	1789.05		NIST
Tboil	[569.00; 586.40]	K
Tboil	586.40	K	KDB
Tboil	569.00 ± 4.00	K	NIST
Tc	764.00	K	KDB
Tfus	268.00	K	KDB
Vc	0.910	m3/kmol	KDB
Zc	0.2392370		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[598.41; 700.83]	J/mol×K	[615.04; 802.31]
T(K) Ideal gas heat capacity (J/mol×K) 600 620 640 660 680 700 650 700 750 800
Cp,gas	598.41	J/mol×K	615.04	Joback Calculated Property
Cp,gas	617.84	J/mol×K	646.25	Joback Calculated Property
Cp,gas	636.28	J/mol×K	677.46	Joback Calculated Property
Cp,gas	653.75	J/mol×K	708.68	Joback Calculated Property
Cp,gas	670.31	J/mol×K	739.89	Joback Calculated Property
Cp,gas	685.99	J/mol×K	771.10	Joback Calculated Property
Cp,gas	700.83	J/mol×K	802.31	Joback Calculated Property
η	[0.0001366; 0.0032077]	Pa×s	[307.77; 615.04]
T(K) Dynamic viscosity (Pa×s) 0 5.00e-4 1.00e-3 1.50e-3 2.00e-3 2.50e-3 3.00e-3 3.50e-3 400 500 600
η	0.0032077	Pa×s	307.77	Joback Calculated Property
η	0.0013024	Pa×s	358.98	Joback Calculated Property
η	0.0006623	Pa×s	410.19	Joback Calculated Property
η	0.0003913	Pa×s	461.40	Joback Calculated Property
η	0.0002568	Pa×s	512.62	Joback Calculated Property
η	0.0001820	Pa×s	563.83	Joback Calculated Property
η	0.0001366	Pa×s	615.04	Joback Calculated Property
ΔvapH	[52.30; 66.70]	kJ/mol	[536.00; 586.40]
ΔvapH	66.70	kJ/mol	536.00	NIST
ΔvapH	52.30	kJ/mol	586.40	KDB
Pvap	[2.70e-04; 0.02]	kPa	[313.20; 363.80]
T(K) Vapor pressure (kPa) 0 5.00e-3 0.01 0.02 320 340 360
Pvap	2.70e-04	kPa	313.20	Vapour ...
Pvap	5.00e-04	kPa	319.30	Vapour ...
Pvap	7.20e-04	kPa	323.30	Vapour ...
Pvap	1.04e-03	kPa	327.30	Vapour ...
Pvap	1.46e-03	kPa	331.30	Vapour ...
Pvap	1.76e-03	kPa	333.40	Vapour ...
Pvap	2.62e-03	kPa	338.40	Vapour ...
Pvap	4.13e-03	kPa	343.50	Vapour ...
Pvap	5.98e-03	kPa	348.70	Vapour ...
Pvap	9.06e-03	kPa	353.60	Vapour ...
Pvap	0.01	kPa	358.70	Vapour ...
Pvap	0.02	kPa	363.80	Vapour ...

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tfus	[256.90; 277.10]	K	[100.00; 99900.00]
P(kPa) Melting point (K) 255 260 265 270 275 0 50000 100000
Tfus	256.90	K	100.00	Solid-L...
Tfus	261.40	K	20600.00	Solid-L...
Tfus	265.50	K	40400.00	Solid-L...
Tfus	269.70	K	60900.00	Solid-L...
Tfus	273.70	K	81000.00	Solid-L...
Tfus	277.10	K	99900.00	Solid-L...

Datasets

Mass density, kg/m3

Fixed		Measured
Temperature, K - Liquid	Pressure, kPa - Liquid	Mass density, kg/m3 - Liquid
293.15	100.00	856.8
293.15	5000.00	859.6
293.15	10000.00	862.4
293.15	15000.00	865.1
293.15	20000.00	867.7
293.15	25000.00	870.3
293.15	30000.00	872.7
293.15	35000.00	875.2
293.15	40000.00	877.5
293.15	45000.00	879.8
293.15	50000.00	882.0
293.15	55000.00	884.2
293.15	60000.00	886.3
293.15	65000.00	888.2
303.15	100.00	849.5
303.15	5000.00	852.6
303.15	10000.00	855.4
303.15	15000.00	858.5
303.15	20000.00	861.1
303.15	25000.00	863.8
303.15	30000.00	866.3
303.15	35000.00	868.7
303.15	40000.00	871.2
303.15	45000.00	873.5
303.15	50000.00	875.8
303.15	55000.00	878.1
303.15	60000.00	880.3
303.15	65000.00	882.5
313.15	100.00	842.5
313.15	5000.00	845.7
313.15	10000.00	848.7
313.15	15000.00	851.6
313.15	20000.00	854.4
313.15	25000.00	857.2
313.15	30000.00	859.8
313.15	35000.00	862.4
313.15	40000.00	864.9
313.15	45000.00	867.5
313.15	50000.00	869.9
313.15	55000.00	872.3
313.15	60000.00	874.5
313.15	65000.00	876.8
323.15	100.00	835.5
323.15	5000.00	838.9
323.15	10000.00	842.1
323.15	15000.00	845.1
323.15	20000.00	848.1
323.15	25000.00	851.1
323.15	30000.00	853.9
323.15	35000.00	856.6
323.15	40000.00	859.2
323.15	45000.00	861.7
323.15	50000.00	864.2
323.15	55000.00	866.6
323.15	60000.00	869.0
323.15	65000.00	871.3
333.15	100.00	828.6
333.15	5000.00	831.9
333.15	10000.00	835.4
333.15	15000.00	838.6
333.15	20000.00	841.7
333.15	25000.00	844.6
333.15	30000.00	847.5
333.15	35000.00	850.3
333.15	40000.00	853.0
333.15	45000.00	855.7
333.15	50000.00	858.3
333.15	55000.00	860.9
333.15	60000.00	863.3
333.15	65000.00	865.6
343.15	100.00	821.7
343.15	5000.00	825.2
343.15	10000.00	828.7
343.15	15000.00	832.2
343.15	20000.00	835.4
343.15	25000.00	838.5
343.15	30000.00	841.4
343.15	35000.00	844.0
343.15	40000.00	846.8
343.15	45000.00	849.6
343.15	50000.00	852.3
343.15	55000.00	854.9
343.15	60000.00	857.4
343.15	65000.00	859.8
353.15	100.00	814.5
353.15	5000.00	818.5
353.15	10000.00	822.2
353.15	15000.00	825.9
353.15	20000.00	829.3
353.15	25000.00	832.5
353.15	30000.00	835.5
353.15	35000.00	838.4
353.15	40000.00	841.3
353.15	45000.00	844.1
353.15	50000.00	846.6
353.15	55000.00	849.4
353.15	60000.00	851.9
353.15	65000.00	854.6
Reference

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[443.16; 616.09]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.54942e+01
Coefficient B			-5.32999e+03
Coefficient C			-9.26560e+01
Temperature range, min.			443.16
Temperature range, max.			616.09
T(K) Vapor pressure (kPa) 0 50 100 150 200 450 500 550 600
Pvap	1.33	kPa	443.16	Calculated Property
Pvap	2.94	kPa	462.37	Calculated Property
Pvap	5.99	kPa	481.59	Calculated Property
Pvap	11.42	kPa	500.80	Calculated Property
Pvap	20.54	kPa	520.02	Calculated Property
Pvap	35.13	kPa	539.23	Calculated Property
Pvap	57.47	kPa	558.45	Calculated Property
Pvap	90.44	kPa	577.66	Calculated Property
Pvap	137.48	kPa	596.88	Calculated Property
Pvap	202.65	kPa	616.09	Calculated Property
Pvap	[4.55e-07; 1696.44]	kPa	[268.00; 764.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			2.00765e+02
Coefficient B			-1.82686e+04
Coefficient C			-2.64665e+01
Coefficient D			1.07638e-05
Temperature range, min.			268.00
Temperature range, max.			764.00
T(K) Vapor pressure (kPa) 0 500 1000 1500 400 600
Pvap	4.55e-07	kPa	268.00	Calculated Property
Pvap	5.13e-04	kPa	323.11	Calculated Property
Pvap	0.05	kPa	378.22	Calculated Property
Pvap	0.94	kPa	433.33	Calculated Property
Pvap	7.93	kPa	488.44	Calculated Property
Pvap	38.33	kPa	543.56	Calculated Property
Pvap	129.25	kPa	598.67	Calculated Property
Pvap	345.97	kPa	653.78	Calculated Property
Pvap	800.39	kPa	708.89	Calculated Property
Pvap	1696.44	kPa	764.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, undecyl-.

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl-benzenes
• Volumetric Properties of 1-Phenyldecane and 1-Phenylundecane at Pressures to 65 MPa and Temperature between 293.15 and 353.15 K
• Solid-Liquid Equilibria under High Pressure of Nine Pure n-Alkylbenzenes
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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