Chemical Properties of Benzene, tridecyl- (CAS 123-02-4)

InChI

InChI=1S/C19H32/c1-2-3-4-5-6-7-8-9-10-11-13-16-19-17-14-12-15-18-19/h12,14-15,17-18H,2-11,13,16H2,1H3

InChI Key

MCVUKOYZUCWLQQ-UHFFFAOYSA-N

Formula

C19H32

SMILES

CCCCCCCCCCCCCc1ccccc1

Molecular Weight¹

260.46

CAS

123-02-4

Other Names

• 1-PHENYLTRIDECANE
• Detergent Alkylate No. 5
• TRIDANE
• Tridecane, 1-phenyl-
• Tridecylbenzene
• n-Tridecylbenzene

• 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).
• I_np : Non-polar retention indices.
• I : 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	0.8160		KDB
ΔfG°	221.51	kJ/mol	Joback Calculated Property
ΔfH°gas	-198.96	kJ/mol	Joback Calculated Property
ΔfusH°	39.01	kJ/mol	Joback Calculated Property
ΔvapH°	94.60	kJ/mol	NIST
log10WS	-6.88		Crippen Calculated Property
logPoct/wat	6.540		Crippen Calculated Property
McVol	254.810	ml/mol	McGowan Calculated Property
Pc	1500.00	kPa	KDB
Inp	[1971.00; 1978.00]
Inp	1978.00		NIST
Inp	1971.00		NIST
Inp	1971.00		NIST
I	[2275.00; 2280.00]
I	2280.00		NIST
I	2277.00		NIST
I	2275.00		NIST
I	2280.00		NIST
Tboil	614.40	K	KDB
Tc	784.00	K	KDB
Tfus	283.00	K	KDB
Vc	1.040	m3/kmol	KDB
Zc	0.2393160		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[709.65; 815.19]	J/mol×K	[660.80; 844.91]
T(K) Ideal gas heat capacity (J/mol×K) 700 720 740 760 780 800 820 700 750 800
Cp,gas	709.65	J/mol×K	660.80	Joback Calculated Property
Cp,gas	729.65	J/mol×K	691.48	Joback Calculated Property
Cp,gas	748.64	J/mol×K	722.17	Joback Calculated Property
Cp,gas	766.64	J/mol×K	752.85	Joback Calculated Property
Cp,gas	783.71	J/mol×K	783.54	Joback Calculated Property
Cp,gas	799.88	J/mol×K	814.22	Joback Calculated Property
Cp,gas	815.19	J/mol×K	844.91	Joback Calculated Property
η	[0.0001098; 0.0027746]	Pa×s	[330.31; 660.80]
T(K) Dynamic viscosity (Pa×s) 0 5.00e-4 1.00e-3 1.50e-3 2.00e-3 2.50e-3 3.00e-3 400 500 600
η	0.0027746	Pa×s	330.31	Joback Calculated Property
η	0.0011025	Pa×s	385.39	Joback Calculated Property
η	0.0005518	Pa×s	440.47	Joback Calculated Property
η	0.0003222	Pa×s	495.56	Joback Calculated Property
η	0.0002095	Pa×s	550.64	Joback Calculated Property
η	0.0001473	Pa×s	605.72	Joback Calculated Property
η	0.0001098	Pa×s	660.80	Joback Calculated Property
ΔvapH	[56.07; 90.00]	kJ/mol	[403.00; 614.40]
ΔvapH	90.00	kJ/mol	403.00	NIST
ΔvapH	72.00	kJ/mol	562.00	NIST
ΔvapH	56.07	kJ/mol	614.40	KDB

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tfus	[272.80; 293.70]	K	[100.00; 100100.00]
P(kPa) Melting point (K) 275 280 285 290 295 0 50000 100000
Tfus	272.80	K	100.00	Solid-L...
Tfus	277.30	K	20100.00	Solid-L...
Tfus	281.60	K	40300.00	Solid-L...
Tfus	285.90	K	60800.00	Solid-L...
Tfus	289.80	K	79900.00	Solid-L...
Tfus	293.70	K	100100.00	Solid-L...

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[469.17; 645.82]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.56301e+01
Coefficient B			-5.56665e+03
Coefficient C			-1.06350e+02
Temperature range, min.			469.17
Temperature range, max.			645.82
T(K) Vapor pressure (kPa) 0 50 100 150 200 500 550 600 650
Pvap	1.33	kPa	469.17	Calculated Property
Pvap	2.93	kPa	488.80	Calculated Property
Pvap	5.96	kPa	508.43	Calculated Property
Pvap	11.36	kPa	528.05	Calculated Property
Pvap	20.43	kPa	547.68	Calculated Property
Pvap	34.95	kPa	567.31	Calculated Property
Pvap	57.23	kPa	586.94	Calculated Property
Pvap	90.16	kPa	606.56	Calculated Property
Pvap	137.25	kPa	626.19	Calculated Property
Pvap	202.63	kPa	645.82	Calculated Property
Pvap	[1.73e-07; 1644.72]	kPa	[283.15; 783.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			2.89788e+02
Coefficient B			-2.39686e+04
Coefficient C			-3.93295e+01
Coefficient D			1.67783e-05
Temperature range, min.			283.15
Temperature range, max.			783.00
T(K) Vapor pressure (kPa) 0 500 1000 1500 400 600
Pvap	1.73e-07	kPa	283.15	Calculated Property
Pvap	2.88e-04	kPa	338.69	Calculated Property
Pvap	0.03	kPa	394.23	Calculated Property
Pvap	0.70	kPa	449.77	Calculated Property
Pvap	6.08	kPa	505.31	Calculated Property
Pvap	29.81	kPa	560.84	Calculated Property
Pvap	102.39	kPa	616.38	Calculated Property
Pvap	284.40	kPa	671.92	Calculated Property
Pvap	702.27	kPa	727.46	Calculated Property
Pvap	1644.72	kPa	783.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, tridecyl-.

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• 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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