Chemical Properties of Benzene, nonyl- (CAS 1081-77-2)

InChI

InChI=1S/C15H24/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14-15/h8,10-11,13-14H,2-7,9,12H2,1H3

InChI Key

LIXVMPBOGDCSRM-UHFFFAOYSA-N

Formula

C15H24

SMILES

CCCCCCCCCc1ccccc1

Molecular Weight¹

204.35

CAS

1081-77-2

Other Names

• 1-PHENYLNONANE
• NONYLBENZENE
• Nonane, 1-phenyl-
• n-Nonylbenzene

• 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).
• NFPA Fire : NFPA Fire Rating.
• 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).
• 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	0.6280		KDB
ΔfG°	187.83	kJ/mol	Joback Calculated Property
ΔfH°gas	-116.40	kJ/mol	Joback Calculated Property
ΔfusH°	28.65	kJ/mol	Joback Calculated Property
ΔvapH°	[74.10; 74.80]	kJ/mol
ΔvapH°	74.10 ± 0.50	kJ/mol	NIST
ΔvapH°	74.80	kJ/mol	NIST
log10WS	-5.20		Crippen Calculated Property
logPoct/wat	4.980		Crippen Calculated Property
McVol	198.450	ml/mol	McGowan Calculated Property
NFPA Fire	1		KDB
Pc	1900.00	kPa	KDB
Inp	[265.51; 1586.00]
Inp	1527.00		NIST
Inp	1555.00		NIST
Inp	1586.00		NIST
Inp	1559.50		NIST
Inp	1560.00		NIST
Inp	1552.20		NIST
Inp	1556.98		NIST
Inp	1560.39		NIST
Inp	1570.95		NIST
Inp	1576.27		NIST
Inp	1579.75		NIST
Inp	1555.00		NIST
Inp	1554.10		NIST
Inp	1542.80		NIST
Inp	1554.00		NIST
Inp	1542.80		NIST
Inp	1555.00		NIST
Inp	1527.00		NIST
Inp	Outlier 265.60		NIST
Inp	Outlier 265.51		NIST
Inp	Outlier 265.60		NIST
Inp	1555.00		NIST
Inp	1527.00		NIST
Inp	1554.10		NIST
I	[1821.00; 1854.00]
I	1854.00		NIST
I	1847.00		NIST
I	1821.00		NIST
I	1854.00		NIST
Tboil	555.20	K	KDB
Tc	741.00	K	KDB
Tfus	249.00	K	KDB
Vc	0.790	m3/kmol	KDB
Zc	0.2436270		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[492.55; 590.69]	J/mol×K	[569.28; 760.85]
Cp,gas	492.55	J/mol×K	569.28	Joback Calculated Property
Cp,gas	511.21	J/mol×K	601.21	Joback Calculated Property
Cp,gas	528.89	J/mol×K	633.14	Joback Calculated Property
Cp,gas	545.65	J/mol×K	665.07	Joback Calculated Property
Cp,gas	561.51	J/mol×K	696.99	Joback Calculated Property
Cp,gas	576.51	J/mol×K	728.92	Joback Calculated Property
Cp,gas	590.69	J/mol×K	760.85	Joback Calculated Property
η	[0.0001656; 0.0035750]	Pa×s	[285.23; 569.28]
η	0.0035750	Pa×s	285.23	Joback Calculated Property
η	0.0014881	Pa×s	332.57	Joback Calculated Property
η	0.0007706	Pa×s	379.91	Joback Calculated Property
η	0.0004617	Pa×s	427.25	Joback Calculated Property
η	0.0003064	Pa×s	474.60	Joback Calculated Property
η	0.0002190	Pa×s	521.94	Joback Calculated Property
η	0.0001656	Pa×s	569.28	Joback Calculated Property
ΔvapH	[48.95; 69.70]	kJ/mol	[365.50; 555.20]
ΔvapH	69.70	kJ/mol	365.50	NIST
ΔvapH	48.95	kJ/mol	555.20	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[414.31; 584.98]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.54330e+01
Coefficient B			-5.20756e+03
Coefficient C			-7.04730e+01
Temperature range, min.			414.31
Temperature range, max.			584.98
Pvap	1.33	kPa	414.31	Calculated Property
Pvap	2.94	kPa	433.27	Calculated Property
Pvap	6.00	kPa	452.24	Calculated Property
Pvap	11.45	kPa	471.20	Calculated Property
Pvap	20.59	kPa	490.16	Calculated Property
Pvap	35.21	kPa	509.13	Calculated Property
Pvap	57.59	kPa	528.09	Calculated Property
Pvap	90.57	kPa	547.05	Calculated Property
Pvap	137.58	kPa	566.02	Calculated Property
Pvap	202.67	kPa	584.98	Calculated Property
Pvap	[1.30e-06; 1804.83]	kPa	[249.00; 741.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.14515e+02
Coefficient B			-1.27354e+04
Coefficient C			-1.39957e+01
Coefficient D			4.83248e-06
Temperature range, min.			249.00
Temperature range, max.			741.00
Pvap	1.30e-06	kPa	249.00	Calculated Property
Pvap	9.34e-04	kPa	303.67	Calculated Property
Pvap	0.07	kPa	358.33	Calculated Property
Pvap	1.22	kPa	413.00	Calculated Property
Pvap	9.96	kPa	467.67	Calculated Property
Pvap	47.59	kPa	522.33	Calculated Property
Pvap	159.15	kPa	577.00	Calculated Property
Pvap	416.73	kPa	631.67	Calculated Property
Pvap	920.41	kPa	686.33	Calculated Property
Pvap	1804.83	kPa	741.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, nonyl-.

Sources

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

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