Chemical Properties of Benzene, decyl- (CAS 104-72-3)

InChI

InChI=1S/C16H26/c1-2-3-4-5-6-7-8-10-13-16-14-11-9-12-15-16/h9,11-12,14-15H,2-8,10,13H2,1H3

InChI Key

UZILCZKGXMQEQR-UHFFFAOYSA-N

Formula

C16H26

SMILES

CCCCCCCCCCc1ccccc1

Molecular Weight¹

218.38

CAS

104-72-3

Other Names

• 1-PHENYLDECANE
• DECYLBENZENE
• Decane, 1-phenyl-
• n-Decylbenzene

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_fH°_liquid : Liquid phase 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).
• 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.
• S°_gas : Molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.6750		KDB
ΔcH°liquid	[-9796.30; -9793.00]	kJ/mol
ΔcH°liquid	-9796.30 ± 3.70	kJ/mol	NIST
ΔcH°liquid	-9793.00 ± 1.80	kJ/mol	NIST
ΔfG°	196.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-137.04	kJ/mol	Joback Calculated Property
ΔfH°liquid	-219.10 ± 2.00	kJ/mol	NIST
ΔfusH°	31.24	kJ/mol	Joback Calculated Property
ΔvapH°	[78.20; 79.80]	kJ/mol
ΔvapH°	78.20 ± 0.30	kJ/mol	NIST
ΔvapH°	79.80	kJ/mol	NIST
log10WS	-5.62		Crippen Calculated Property
logPoct/wat	5.370		Crippen Calculated Property
McVol	212.540	ml/mol	McGowan Calculated Property
NFPA Fire	1		KDB
NFPA Health	2		KDB
Pc	1780.00	kPa	KDB
Inp	[280.90; 1694.00]
Inp	1655.00		NIST
Inp	1627.00		NIST
Inp	1694.00		NIST
Inp	1659.00		NIST
Inp	1674.80		NIST
Inp	1674.50		NIST
Inp	1669.50		NIST
Inp	1674.80		NIST
Inp	1677.70		NIST
Inp	1645.00		NIST
Inp	1669.50		NIST
Inp	1674.80		NIST
Inp	1677.70		NIST
Inp	1674.80		NIST
Inp	1674.50		NIST
Inp	1664.00		NIST
Inp	1655.82		NIST
Inp	1661.14		NIST
Inp	1664.63		NIST
Inp	1675.02		NIST
Inp	1680.77		NIST
Inp	1684.34		NIST
Inp	1659.00		NIST
Inp	1659.00		NIST
Inp	1664.00		NIST
Inp	1627.00		NIST
Inp	Outlier 280.90		NIST
Inp	Outlier 284.70		NIST
Inp	1659.00		NIST
I	[1928.00; 1962.00]
I	1962.00		NIST
I	1953.00		NIST
I	1928.00		NIST
I	1928.00		NIST
I	1928.00		NIST
S°gas	674.00 ± 2.10	J/mol×K	NIST
Tboil	[566.20; 571.10]	K
Tboil	571.10	K	KDB
Tboil	566.20	K	NIST
Tc	753.00	K	KDB
Tfus	259.00	K	KDB
Ttriple	258.75 ± 0.02	K	NIST
Vc	0.824	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[544.76; 645.22]	J/mol×K	[592.16; 781.46]
T(K) Ideal gas heat capacity (J/mol×K) 540 560 580 600 620 640 600 650 700 750
Cp,gas	544.76	J/mol×K	592.16	Joback Calculated Property
Cp,gas	563.84	J/mol×K	623.71	Joback Calculated Property
Cp,gas	581.93	J/mol×K	655.26	Joback Calculated Property
Cp,gas	599.08	J/mol×K	686.81	Joback Calculated Property
Cp,gas	615.32	J/mol×K	718.36	Joback Calculated Property
Cp,gas	630.68	J/mol×K	749.91	Joback Calculated Property
Cp,gas	645.22	J/mol×K	781.46	Joback Calculated Property
η	[0.0001509; 0.0034038]	Pa×s	[296.50; 592.16]
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-3 300 400 500
η	0.0034038	Pa×s	296.50	Joback Calculated Property
η	0.0013986	Pa×s	345.78	Joback Calculated Property
η	0.0007175	Pa×s	395.05	Joback Calculated Property
η	0.0004268	Pa×s	444.33	Joback Calculated Property
η	0.0002816	Pa×s	493.61	Joback Calculated Property
η	0.0002004	Pa×s	542.88	Joback Calculated Property
η	0.0001509	Pa×s	592.16	Joback Calculated Property
ΔvapH	[50.63; 78.00]	kJ/mol	[373.00; 571.10]
ΔvapH	78.00	kJ/mol	373.00	NIST
ΔvapH	75.10	kJ/mol	399.00	NIST
ΔvapH	61.60	kJ/mol	523.00	NIST
ΔvapH	50.63	kJ/mol	571.10	KDB
Pvap	[1.22e-03; 0.04]	kPa	[318.20; 363.40]
T(K) Vapor pressure (kPa) 0 5.00e-3 0.01 0.02 0.02 0.03 0.03 0.04 0.04 320 340 360
Pvap	1.22e-03	kPa	318.20	Vapour ...
Pvap	1.92e-03	kPa	323.20	Vapour ...
Pvap	2.93e-03	kPa	328.30	Vapour ...
Pvap	4.50e-03	kPa	333.50	Vapour ...
Pvap	6.55e-03	kPa	338.60	Vapour ...
Pvap	9.66e-03	kPa	343.70	Vapour ...
Pvap	0.01	kPa	348.70	Vapour ...
Pvap	0.02	kPa	353.30	Vapour ...
Pvap	0.03	kPa	358.40	Vapour ...
Pvap	0.04	kPa	363.40	Vapour ...

Datasets

Mass density, kg/m3

Fixed		Measured
Temperature, K - Liquid	Pressure, kPa - Liquid	Mass density, kg/m3 - Liquid
293.15	100.00	855.8
293.15	5000.00	858.6
293.15	10000.00	861.5
293.15	15000.00	864.2
293.15	20000.00	867.0
293.15	25000.00	869.5
293.15	30000.00	872.0
293.15	35000.00	874.4
293.15	40000.00	876.8
293.15	45000.00	879.0
293.15	50000.00	881.4
293.15	55000.00	883.5
293.15	60000.00	885.7
293.15	65000.00	887.8
303.15	100.00	849.1
303.15	5000.00	852.2
303.15	10000.00	855.1
303.15	15000.00	858.2
303.15	20000.00	860.9
303.15	25000.00	863.6
303.15	30000.00	866.2
303.15	35000.00	868.7
303.15	40000.00	871.2
303.15	45000.00	873.5
303.15	50000.00	875.9
303.15	55000.00	878.2
303.15	60000.00	880.4
303.15	65000.00	882.6
313.15	100.00	842.1
313.15	5000.00	845.3
313.15	10000.00	848.4
313.15	15000.00	851.3
313.15	20000.00	854.1
313.15	25000.00	856.9
313.15	30000.00	859.7
313.15	35000.00	862.3
313.15	40000.00	864.9
313.15	45000.00	867.4
313.15	50000.00	869.9
313.15	55000.00	872.2
313.15	60000.00	874.6
313.15	65000.00	876.8
323.15	100.00	835.1
323.15	5000.00	838.3
323.15	10000.00	841.6
323.15	15000.00	844.6
323.15	20000.00	847.7
323.15	25000.00	850.8
323.15	30000.00	853.6
323.15	35000.00	856.3
323.15	40000.00	859.0
323.15	45000.00	861.5
323.15	50000.00	864.1
323.15	55000.00	866.6
323.15	60000.00	868.9
323.15	65000.00	871.2
333.15	100.00	827.8
333.15	5000.00	831.3
333.15	10000.00	834.9
333.15	15000.00	838.2
333.15	20000.00	841.3
333.15	25000.00	844.3
333.15	30000.00	847.2
333.15	35000.00	850.1
333.15	40000.00	852.8
333.15	45000.00	855.5
333.15	50000.00	858.1
333.15	55000.00	860.8
333.15	60000.00	863.2
333.15	65000.00	865.7
343.15	100.00	821.0
343.15	5000.00	824.6
343.15	10000.00	828.2
343.15	15000.00	831.6
343.15	20000.00	834.9
343.15	25000.00	838.1
343.15	30000.00	841.1
343.15	35000.00	844.0
343.15	40000.00	846.8
343.15	45000.00	849.8
343.15	50000.00	852.4
343.15	55000.00	855.1
343.15	60000.00	857.6
343.15	65000.00	860.1
353.15	100.00	814.0
353.15	5000.00	817.8
353.15	10000.00	821.5
353.15	15000.00	825.2
353.15	20000.00	828.7
353.15	25000.00	831.9
353.15	30000.00	835.0
353.15	35000.00	838.1
353.15	40000.00	841.0
353.15	45000.00	843.9
353.15	50000.00	846.6
353.15	55000.00	849.4
353.15	60000.00	852.0
353.15	65000.00	854.7
Reference

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[427.94; 605.52]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.52519e+01
Coefficient B			-5.25804e+03
Coefficient C			-7.65640e+01
Temperature range, min.			427.94
Temperature range, max.			605.52
T(K) Vapor pressure (kPa) 0 50 100 150 200 450 500 550 600
Pvap	1.33	kPa	427.94	Calculated Property
Pvap	2.95	kPa	447.67	Calculated Property
Pvap	6.04	kPa	467.40	Calculated Property
Pvap	11.53	kPa	487.13	Calculated Property
Pvap	20.75	kPa	506.86	Calculated Property
Pvap	35.45	kPa	526.60	Calculated Property
Pvap	57.91	kPa	546.33	Calculated Property
Pvap	90.93	kPa	566.06	Calculated Property
Pvap	137.87	kPa	585.79	Calculated Property
Pvap	202.65	kPa	605.52	Calculated Property
Pvap	[1.18e-06; 1697.71]	kPa	[258.77; 753.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.30338e+02
Coefficient B			-1.40293e+04
Coefficient C			-1.62264e+01
Coefficient D			5.67144e-06
Temperature range, min.			258.77
Temperature range, max.			753.00
T(K) Vapor pressure (kPa) 0 500 1000 1500 400 600
Pvap	1.18e-06	kPa	258.77	Calculated Property
Pvap	8.21e-04	kPa	313.68	Calculated Property
Pvap	0.06	kPa	368.60	Calculated Property
Pvap	1.09	kPa	423.51	Calculated Property
Pvap	8.90	kPa	478.43	Calculated Property
Pvap	42.85	kPa	533.34	Calculated Property
Pvap	144.38	kPa	588.26	Calculated Property
Pvap	381.48	kPa	643.17	Calculated Property
Pvap	852.54	kPa	698.09	Calculated Property
Pvap	1697.71	kPa	753.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, decyl-.

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
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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