Chemical Properties of Benzene, octyl- (CAS 2189-60-8)

InChI

InChI=1S/C14H22/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h7,9-10,12-13H,2-6,8,11H2,1H3

InChI Key

CDKDZKXSXLNROY-UHFFFAOYSA-N

Formula

C14H22

SMILES

CCCCCCCCc1ccccc1

Molecular Weight¹

190.32

CAS

2189-60-8

Other Names

• 1-phenyloctane
• Phenyloctane
• n-octylbenzene
• octane, 1-phenyl-
• octylbenzene

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase 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_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).
• 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	0.5770		KDB
ΔfG°	179.41	kJ/mol	Joback Calculated Property
ΔfH°gas	-78.65	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	26.06	kJ/mol	Joback Calculated Property
ΔvapH°	68.93	kJ/mol	Relay (1.0) Calculated Property
IE	8.76	eV	Relay (1.0) Calculated Property
log10WS	-5.84		Relay (1.0) Calculated Property
logPoct/wat	4.590		Crippen Calculated Property
McVol	184.360	ml/mol	McGowan Calculated Property
Pc	2040.00	kPa	KDB
Inp	[249.10; 1484.10]
Inp	1456.00		NIST
Inp	1462.00		NIST
Inp	1462.00		NIST
Inp	1427.00		NIST
Inp	1451.00		NIST
Inp	1466.50		NIST
Inp	1466.30		NIST
Inp	1461.60		NIST
Inp	1466.50		NIST
Inp	1468.20		NIST
Inp	1439.00		NIST
Inp	1455.20		NIST
Inp	1461.60		NIST
Inp	1466.50		NIST
Inp	1468.20		NIST
Inp	1466.50		NIST
Inp	1466.30		NIST
Inp	1456.00		NIST
Inp	1454.00		NIST
Inp	1480.30		NIST
Inp	1465.10		NIST
Inp	1474.20		NIST
Inp	1484.10		NIST
Inp	1471.70		NIST
Inp	1478.30		NIST
Inp	1448.08		NIST
Inp	1452.71		NIST
Inp	1455.83		NIST
Inp	1466.64		NIST
Inp	1471.90		NIST
Inp	1475.03		NIST
Inp	1451.00		NIST
Inp	1453.00		NIST
Inp	1454.00		NIST
Inp	1427.00		NIST
Inp	Outlier 249.10		NIST
Inp	Outlier 249.10		NIST
Inp	1466.50		NIST
Inp	1439.00		NIST
Inp	1465.10		NIST
Inp	1448.08		NIST
Inp	1475.03		NIST
I	[1709.00; 1752.00]
I	1709.00		NIST
I	1746.00		NIST
I	1741.00		NIST
I	1721.00		NIST
I	1715.00		NIST
I	1709.00		NIST
I	1723.00		NIST
I	1738.00		NIST
I	1752.00		NIST
Tboil	[527.00; 538.00]	K
Tboil	537.60	K	KDB
Tboil	535.20	K	NIST
Tboil	537.70	K	NIST
Tboil	527.00 ± 6.00	K	NIST
Tboil	529.65 ± 2.50	K	NIST
Tboil	531.00 ± 6.00	K	NIST
Tboil	538.00 ± 2.00	K	NIST
Tboil	538.00 ± 5.00	K	NIST
Tboil	536.00 ± 5.00	K	NIST
Tboil	530.00 ± 5.00	K	NIST
Tboil	536.00 ± 7.00	K	NIST
Tboil	535.00 ± 7.00	K	NIST
Tc	728.00	K	KDB
Tfus	[227.55; 266.15]	K
Tfus	237.00	K	KDB
Tfus	238.15 ± 2.00	K	NIST
Tfus	258.73 ± 0.30	K	NIST
Tfus	236.15 ± 1.00	K	NIST
Tfus	233.65 ± 1.50	K	NIST
Tfus	227.55 ± 1.00	K	NIST
Tfus	266.15 ± 20.00	K	NIST
Tfus	266.15 ± 3.00	K	NIST
Vc	0.720	m3/kmol	KDB
Zc	0.2426580		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[291.00; 356.00]	J/mol×K	[295.00; 295.10]
Cp,liquid	291.00	J/mol×K	295.00	NIST
Cp,liquid	356.00	J/mol×K	295.10	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
ΔfusH	[29.96; 29.96]	kJ/mol	[234.20; 234.20]
ΔfusH	29.96	kJ/mol	234.20	NIST
ΔfusH	29.96	kJ/mol	234.20	NIST
ΔfusH	29.96	kJ/mol	234.20	NIST
ΔvapH	[46.86; 67.40]	kJ/mol	[357.50; 537.60]
ΔvapH	66.20	kJ/mol	357.50	NIST
ΔvapH	67.40	kJ/mol	377.50	NIST
ΔvapH	63.10	kJ/mol	384.00	NIST
ΔvapH	46.86	kJ/mol	537.60	KDB
γ	0.03	N/m	293.90	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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[245.22; 623.08]	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			-4.37430e+01
Coefficient B			1.25492e+00
Coefficient C			-7.69000e-04
Coefficient D			1.80900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	245.22	J/mol×K	273.00	Calculated Property
Cp,gas	311.98	J/mol×K	353.78	Calculated Property
Cp,gas	371.22	J/mol×K	434.56	Calculated Property
Cp,gas	423.49	J/mol×K	515.33	Calculated Property
Cp,gas	469.39	J/mol×K	596.11	Calculated Property
Cp,gas	509.46	J/mol×K	676.89	Calculated Property
Cp,gas	544.30	J/mol×K	757.67	Calculated Property
Cp,gas	574.46	J/mol×K	838.44	Calculated Property
Cp,gas	600.53	J/mol×K	919.22	Calculated Property
Cp,gas	623.08	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0075112; 0.0002245]	Pa×s	[245.44; 509.60]	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			-1.16632e+01
Coefficient B			1.66210e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			245.44
Temperature range, max.			509.60
η	0.0075112	Pa×s	245.44	Calculated Property
η	0.0036440	Pa×s	274.79	Calculated Property
η	0.0020327	Pa×s	304.14	Calculated Property
η	0.0012566	Pa×s	333.49	Calculated Property
η	0.0008397	Pa×s	362.85	Calculated Property
η	0.0005960	Pa×s	392.20	Calculated Property
η	0.0004437	Pa×s	421.55	Calculated Property
η	0.0003433	Pa×s	450.90	Calculated Property
η	0.0002740	Pa×s	480.25	Calculated Property
η	0.0002245	Pa×s	509.60	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[399.33; 566.54]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.51719e+01
Coefficient B			-4.88461e+03
Coefficient C			-7.11620e+01
Temperature range, min.			399.33
Temperature range, max.			566.54
Pvap	1.33	kPa	399.33	Calculated Property
Pvap	2.96	kPa	417.91	Calculated Property
Pvap	6.06	kPa	436.49	Calculated Property
Pvap	11.57	kPa	455.07	Calculated Property
Pvap	20.82	kPa	473.65	Calculated Property
Pvap	35.56	kPa	492.22	Calculated Property
Pvap	58.06	kPa	510.80	Calculated Property
Pvap	91.10	kPa	529.38	Calculated Property
Pvap	138.01	kPa	547.96	Calculated Property
Pvap	202.67	kPa	566.54	Calculated Property
Pvap	[8.01e-07; 1933.19]	kPa	[237.15; 729.00]	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			1.15260e+02
Coefficient B			-1.23375e+04
Coefficient C			-1.41827e+01
Coefficient D			5.11526e-06
Coefficient E			0.00000e+00
Temperature range, min.			237.15
Temperature range, max.			729.00
Pvap	8.01e-07	kPa	237.15	Calculated Property
Pvap	8.36e-04	kPa	291.80	Calculated Property
Pvap	0.07	kPa	346.45	Calculated Property
Pvap	1.36	kPa	401.10	Calculated Property
Pvap	11.32	kPa	455.75	Calculated Property
Pvap	53.98	kPa	510.40	Calculated Property
Pvap	178.47	kPa	565.05	Calculated Property
Pvap	460.24	kPa	619.70	Calculated Property
Pvap	1000.53	kPa	674.35	Calculated Property
Pvap	1933.19	kPa	729.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, octyl-.

Mixtures

• Methane, trifluoro- + Benzene, octyl-
• Hexadecane + Benzene, octyl-

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Fluid phase equilibria in the binary system trifluoromethane + 1-phenyloctane
• 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
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure
• Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD

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