Chemical Properties of Benzene, (1-methylbutyl)- (CAS 2719-52-0)

InChI

InChI=1S/C11H16/c1-3-7-10(2)11-8-5-4-6-9-11/h4-6,8-10H,3,7H2,1-2H3

InChI Key

LTHAIAJHDPJXLG-UHFFFAOYSA-N

Formula

C11H16

SMILES

CCCC(C)c1ccccc1

Molecular Weight¹

148.24

CAS

2719-52-0

Other Names

• (1-Methybutyl)benzene
• (1-Methylbutyl)benzene
• (dl) 2-phenylpentane
• 1-Methyl-1-Phenylbutane
• 1-Methyl-n-butylbenzene
• 1-Phenyl-1-methylbutane
• 2-Phenylpentane
• Benzene, sec-pentyl-
• sec-Pentylbenzene

• 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).
• 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.
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3598		Relay (1.0) Calculated Property
ΔfG°	151.71	kJ/mol	Joback Calculated Property
ΔfH°gas	-37.83	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.76	kJ/mol	Joback Calculated Property
ΔvapH°	53.27	kJ/mol	Relay (1.0) Calculated Property
IE	8.60	eV	Relay (1.0) Calculated Property
log10WS	-4.26		Relay (1.0) Calculated Property
logPoct/wat	3.590		Crippen Calculated Property
McVol	142.090	ml/mol	McGowan Calculated Property
Pc	2670.78	kPa	Joback Calculated Property
Inp	[1069.00; 1098.00]
Inp	1074.70		NIST
Inp	1077.80		NIST
Inp	1078.00		NIST
Inp	1071.59		NIST
Inp	1082.10		NIST
Inp	1078.10		NIST
Inp	1086.00		NIST
Inp	Outlier 1098.00		NIST
Inp	1086.00		NIST
Inp	1093.00		NIST
Inp	1069.00		NIST
Inp	1092.00		NIST
Inp	1081.00		NIST
Inp	1081.00		NIST
Inp	1082.00		NIST
Inp	1086.00		NIST
Inp	1074.70		NIST
Inp	1078.10		NIST
Inp	1093.00		NIST
I	[1317.00; 1324.30]
I	1324.30		NIST
I	1317.00		NIST
I	1317.00		NIST
I	1317.00		NIST
I	1324.30		NIST
Tboil	[462.40; 477.00]	K
Tboil	462.40 ± 4.00	K	NIST
Tboil	466.00 ± 3.00	K	NIST
Tboil	466.15 ± 2.00	K	NIST
Tboil	466.00 ± 8.00	K	NIST
Tboil	465.00 ± 3.00	K	NIST
Tboil	465.00 ± 4.00	K	NIST
Tboil	465.00 ± 3.00	K	NIST
Tboil	Outlier 477.00 ± 4.00	K	NIST
Tboil	465.00 ± 3.00	K	NIST
Tboil	464.00 ± 4.00	K	NIST
Tc	672.36	K	Relay (1.0) Calculated Property
Tfus	200.82	K	Relay (1.0) Calculated Property
Vc	0.520	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[181.26; 468.84]	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			-4.26980e+01
Coefficient B			9.75840e-01
Coefficient C			-6.09000e-04
Coefficient D			1.44700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	181.26	J/mol×K	273.00	Calculated Property
Cp,gas	232.72	J/mol×K	353.78	Calculated Property
Cp,gas	278.23	J/mol×K	434.56	Calculated Property
Cp,gas	318.26	J/mol×K	515.33	Calculated Property
Cp,gas	353.26	J/mol×K	596.11	Calculated Property
Cp,gas	383.68	J/mol×K	676.89	Calculated Property
Cp,gas	410.00	J/mol×K	757.67	Calculated Property
Cp,gas	432.66	J/mol×K	838.44	Calculated Property
Cp,gas	452.12	J/mol×K	919.22	Calculated Property
Cp,gas	468.84	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0057730; 0.0002054]	Pa×s	[225.15; 478.94]	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			-1.14501e+01
Coefficient B			1.41744e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			225.15
Temperature range, max.			478.94
η	0.0057730	Pa×s	225.15	Calculated Property
η	0.0028647	Pa×s	253.35	Calculated Property
η	0.0016357	Pa×s	281.55	Calculated Property
η	0.0010343	Pa×s	309.75	Calculated Property
η	0.0007060	Pa×s	337.95	Calculated Property
η	0.0005111	Pa×s	366.15	Calculated Property
η	0.0003875	Pa×s	394.35	Calculated Property
η	0.0003049	Pa×s	422.55	Calculated Property
η	0.0002472	Pa×s	450.74	Calculated Property
η	0.0002054	Pa×s	478.94	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[341.74; 493.44]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.43026e+01
Coefficient B			-3.80497e+03
Coefficient C			-7.02500e+01
Temperature range, min.			341.74
Temperature range, max.			493.44
Pvap	1.33	kPa	341.74	Calculated Property
Pvap	3.02	kPa	358.60	Calculated Property
Pvap	6.27	kPa	375.45	Calculated Property
Pvap	12.04	kPa	392.31	Calculated Property
Pvap	21.66	kPa	409.16	Calculated Property
Pvap	36.88	kPa	426.02	Calculated Property
Pvap	59.82	kPa	442.87	Calculated Property
Pvap	93.06	kPa	459.73	Calculated Property
Pvap	139.56	kPa	476.58	Calculated Property
Pvap	202.65	kPa	493.44	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, (1-methylbutyl)-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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