Chemical Properties of Benzene, dodecyl- (CAS 123-01-3)

InChI

InChI=1S/C18H30/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18/h11,13-14,16-17H,2-10,12,15H2,1H3

InChI Key

KWKXNDCHNDYVRT-UHFFFAOYSA-N

Formula

C18H30

SMILES

CCCCCCCCCCCCc1ccccc1

Molecular Weight¹

246.43

CAS

123-01-3

Other Names

• 1-Dodecylbenzene
• 1-PHENYLDODECANE
• ALKYLATE P 1
• Detergent Alkylate No. 2
• Detergent alkylate
• Dodecane, 1-phenyl-
• Dodecylbenzene
• LAURYLBENZENE
• Marlican
• NSC 102805
• Nalkylene 500
• Phenyldodecan
• Phenyldodecane
• n-Dodecylbenzene

• 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_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation 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).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• γ : Surface Tension (N/m).
• 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	0.7730		KDB
ΔfG°	213.09	kJ/mol	Joback Calculated Property
ΔfH°gas	-162.75	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.42	kJ/mol	Joback Calculated Property
ΔsubH°	135.10	kJ/mol	NIST
ΔvapH°	89.60	kJ/mol	NIST
IE	9.10 ± 0.10	eV	NIST
log10WS	-7.15		Relay (1.0) Calculated Property
logPoct/wat	6.150		Crippen Calculated Property
McVol	240.720	ml/mol	McGowan Calculated Property
Pc	1580.00	kPa	KDB
Inp	[1866.00; 1878.00]
Inp	1878.00		NIST
Inp	1872.60		NIST
Inp	1870.00		NIST
Inp	1866.00		NIST
Inp	1872.60		NIST
Inp	1866.00		NIST
Inp	1878.00		NIST
I	[2141.00; 2180.00]
I	2180.00		NIST
I	2169.00		NIST
I	2141.00		NIST
I	2155.00		NIST
Tboil	[590.00; 600.80]	K
Tboil	600.80	K	KDB
Tboil	590.00 ± 5.00	K	NIST
Tc	774.00	K	KDB
Tfus	[266.00; 276.00]	K
Tfus	276.00	K	KDB
Tfus	270.00 ± 2.00	K	NIST
Tfus	266.00 ± 2.00	K	NIST
Vc	0.980	m3/kmol	KDB
Zc	0.2406050		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[653.40; 757.49]	J/mol×K	[637.92; 823.44]
Cp,gas	653.40	J/mol×K	637.92	Joback Calculated Property
Cp,gas	673.14	J/mol×K	668.84	Joback Calculated Property
Cp,gas	691.87	J/mol×K	699.76	Joback Calculated Property
Cp,gas	709.62	J/mol×K	730.68	Joback Calculated Property
Cp,gas	726.46	J/mol×K	761.60	Joback Calculated Property
Cp,gas	742.40	J/mol×K	792.52	Joback Calculated Property
Cp,gas	757.49	J/mol×K	823.44	Joback Calculated Property
η	[0.0001228; 0.0029955]	Pa×s	[319.04; 637.92]
η	0.0029955	Pa×s	319.04	Joback Calculated Property
η	0.0012027	Pa×s	372.19	Joback Calculated Property
η	0.0006066	Pa×s	425.33	Joback Calculated Property
η	0.0003562	Pa×s	478.48	Joback Calculated Property
η	0.0002326	Pa×s	531.63	Joback Calculated Property
η	0.0001642	Pa×s	584.77	Joback Calculated Property
η	0.0001228	Pa×s	637.92	Joback Calculated Property
ΔfusH	43.10	kJ/mol	274.60	NIST
ΔvapH	[54.39; 92.00]	kJ/mol	[275.00; 600.80]
ΔvapH	92.00	kJ/mol	275.00	NIST
ΔvapH	83.20	kJ/mol	393.00	NIST
ΔvapH	80.60	kJ/mol	396.00	NIST
ΔvapH	67.40	kJ/mol	552.50	NIST
ΔvapH	54.39	kJ/mol	600.80	KDB
γ	0.03	N/m	294.30	Densities and Viscosities at 293.15 373.15 K, Speeds of Sound and Bulk Moduli at 293.15 333.15 K, Surface Tensions, and Flash Points of Binary Mixtures of n-Hexadecane and Alkylbenzenes at 0.1 MPa

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tfus	[269.70; 292.00]	K	[100.00; 100000.00]
Tfus	269.70	K	100.00	Solid-Liquid Equilibria under High Pressure of Nine Pure n-Alkylbenzenes
Tfus	274.40	K	20200.00	Solid-Liquid Equilibria under High Pressure of Nine Pure n-Alkylbenzenes
Tfus	279.00	K	40100.00	Solid-Liquid Equilibria under High Pressure of Nine Pure n-Alkylbenzenes
Tfus	283.40	K	60000.00	Solid-Liquid Equilibria under High Pressure of Nine Pure n-Alkylbenzenes
Tfus	287.80	K	79900.00	Solid-Liquid Equilibria under High Pressure of Nine Pure n-Alkylbenzenes
Tfus	292.00	K	100000.00	Solid-Liquid Equilibria under High Pressure of Nine Pure n-Alkylbenzenes

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.31; 201.29]	kPa	[456.15; 635.15]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.52577e+01
Coefficient B			-5.30559e+03
Coefficient C			-1.02085e+02
Temperature range, min.			456.15
Temperature range, max.			635.15
Pvap	1.31	kPa	456.15	Calculated Property
Pvap	2.92	kPa	476.04	Calculated Property
Pvap	5.97	kPa	495.93	Calculated Property
Pvap	11.40	kPa	515.82	Calculated Property
Pvap	20.54	kPa	535.71	Calculated Property
Pvap	35.12	kPa	555.59	Calculated Property
Pvap	57.41	kPa	575.48	Calculated Property
Pvap	90.21	kPa	595.37	Calculated Property
Pvap	136.86	kPa	615.26	Calculated Property
Pvap	201.29	kPa	635.15	Calculated Property
Pvap	[2.55e-07; 1733.22]	kPa	[275.93; 774.26]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			2.68186e+02
Coefficient B			-2.21930e+04
Coefficient C			-3.63255e+01
Coefficient D			1.59623e-05
Temperature range, min.			275.93
Temperature range, max.			774.26
Pvap	2.55e-07	kPa	275.93	Calculated Property
Pvap	3.91e-04	kPa	331.30	Calculated Property
Pvap	0.04	kPa	386.67	Calculated Property
Pvap	0.84	kPa	442.04	Calculated Property
Pvap	7.09	kPa	497.41	Calculated Property
Pvap	33.84	kPa	552.78	Calculated Property
Pvap	113.89	kPa	608.15	Calculated Property
Pvap	310.80	kPa	663.52	Calculated Property
Pvap	754.21	kPa	718.89	Calculated Property
Pvap	1733.22	kPa	774.26	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, dodecyl-.

Mixtures

• Hexadecane + Benzene, dodecyl-
• Furfural + Benzene, dodecyl- + Water
• Pentanoic acid, 4-oxo- + Benzene, dodecyl- + Water

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Densities and Viscosities at 293.15 373.15 K, Speeds of Sound and Bulk Moduli at 293.15 333.15 K, Surface Tensions, and Flash Points of Binary Mixtures of n-Hexadecane and Alkylbenzenes at 0.1 MPa
• Liquid-Liquid Equilibria of Formic Acid and Furfural in a Biphasic Aqueous-Organic System: Optimization of Solvent and Amine Extractant
• Solid-Liquid Equilibria under High Pressure of Nine Pure n-Alkylbenzenes
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.