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
• decane, 1-phenyl-
• decylbenzene
• 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).
• 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.
• 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	-121.09	kJ/mol	Relay (1.0) 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
IE	8.86	eV	Relay (1.0) Calculated Property
log10WS	-6.55		Relay (1.0) 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	[258.70; 259.00]	K
Tfus	Outlier 259.00	K	KDB
Tfus	258.80 ± 0.60	K	NIST
Tfus	258.74 ± 0.07	K	NIST
Tfus	258.74 ± 0.05	K	NIST
Tfus	258.70 ± 0.20	K	NIST
Tfus	258.73 ± 0.09	K	NIST
Tfus	258.74 ± 0.06	K	NIST
Tfus	258.77 ± 0.04	K	NIST
Tfus	258.70 ± 0.20	K	NIST
Tfus	258.73 ± 0.50	K	NIST
Ttriple	258.75 ± 0.02	K	NIST
Vc	0.836	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
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]
Pvap	1.22e-03	kPa	318.20	Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl-benzenes
Pvap	1.92e-03	kPa	323.20	Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl-benzenes
Pvap	2.93e-03	kPa	328.30	Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl-benzenes
Pvap	4.50e-03	kPa	333.50	Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl-benzenes
Pvap	6.55e-03	kPa	338.60	Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl-benzenes
Pvap	9.66e-03	kPa	343.70	Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl-benzenes
Pvap	0.01	kPa	348.70	Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl-benzenes
Pvap	0.02	kPa	353.30	Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl-benzenes
Pvap	0.03	kPa	358.40	Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl-benzenes
Pvap	0.04	kPa	363.40	Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl-benzenes

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
Cp,gas	[287.65; 726.26]	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			-4.55610e+01
Coefficient B			1.44492e+00
Coefficient C			-8.77800e-04
Coefficient D			2.04700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	287.65	J/mol×K	273.00	Calculated Property
Cp,gas	364.82	J/mol×K	353.78	Calculated Property
Cp,gas	433.37	J/mol×K	434.56	Calculated Property
Cp,gas	493.95	J/mol×K	515.33	Calculated Property
Cp,gas	547.21	J/mol×K	596.11	Calculated Property
Cp,gas	593.78	J/mol×K	676.89	Calculated Property
Cp,gas	634.33	J/mol×K	757.67	Calculated Property
Cp,gas	669.49	J/mol×K	838.44	Calculated Property
Cp,gas	699.92	J/mol×K	919.22	Calculated Property
Cp,gas	726.26	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0084630; 0.0002219]	Pa×s	[258.74; 527.10]	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			-1.19237e+01
Coefficient B			1.85042e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			258.74
Temperature range, max.			527.10
η	0.0084630	Pa×s	258.74	Calculated Property
η	0.0040418	Pa×s	288.56	Calculated Property
η	0.0022169	Pa×s	318.37	Calculated Property
η	0.0013477	Pa×s	348.19	Calculated Property
η	0.0008862	Pa×s	378.01	Calculated Property
η	0.0006196	Pa×s	407.83	Calculated Property
η	0.0004548	Pa×s	437.65	Calculated Property
η	0.0003473	Pa×s	467.46	Calculated Property
η	0.0002739	Pa×s	497.28	Calculated Property
η	0.0002219	Pa×s	527.10	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[427.94; 605.52]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
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
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 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			1.30338e+02
Coefficient B			-1.40293e+04
Coefficient C			-1.62264e+01
Coefficient D			5.67144e-06
Coefficient E			0.00000e+00
Temperature range, min.			258.77
Temperature range, max.			753.00
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
Pvap	[8.33; 101.03]	kPa	[476.14; 570.90]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.42093e+01
Coefficient B			-4.40371e+03
Coefficient C			-1.11891e+02
Reference			Camin, Forziati, et al., 1954
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			476.14
Temperature range, max.			570.90
Pvap	8.33	kPa	476.14	Calculated Property
Pvap	11.70	kPa	486.67	Calculated Property
Pvap	16.12	kPa	497.20	Calculated Property
Pvap	21.85	kPa	507.73	Calculated Property
Pvap	29.15	kPa	518.26	Calculated Property
Pvap	38.33	kPa	528.78	Calculated Property
Pvap	49.72	kPa	539.31	Calculated Property
Pvap	63.69	kPa	549.84	Calculated Property
Pvap	80.65	kPa	560.37	Calculated Property
Pvap	101.03	kPa	570.90	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, decyl-.

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• 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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