Chemical Properties of Benzene, 1-methylethoxy- (CAS 2741-16-4)

InChI

InChI=1S/C9H12O/c1-8(2)10-9-6-4-3-5-7-9/h3-8H,1-2H3

InChI Key

ZYNMJJNWXVKJJV-UHFFFAOYSA-N

Formula

C9H12O

SMILES

CC(C)Oc1ccccc1

Molecular Weight¹

136.19

CAS

2741-16-4

Other Names

• isopropoxybenzene

• 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).
• I_np : Non-polar retention indices.
• I_p : 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	0.3931		Relay (1.0) Calculated Property
ΔfG°	29.87	kJ/mol	Joback Calculated Property
ΔfH°gas	-142.70	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	10.77	kJ/mol	Joback Calculated Property
ΔvapH°	48.19	kJ/mol	Relay (1.0) Calculated Property
IE	8.32	eV	NIST
log10WS	-2.28		Relay (1.0) Calculated Property
logPoct/wat	2.474		Crippen Calculated Property
McVol	119.780	ml/mol	McGowan Calculated Property
Pc	3228.31	kPa	Joback Calculated Property
Inp	[1016.00; 1027.00]
Inp	1016.00		NIST
Inp	1027.00		NIST
Inp	1016.00		NIST
Ip	[1420.00; 1425.00]
Ip	1420.00		NIST
Ip	1425.00		NIST
Ip	1420.00		NIST
Tboil	[450.00; 450.40]	K
Tboil	450.00 ± 0.50	K	NIST
Tboil	450.40 ± 0.50	K	NIST
Tc	640.51	K	Relay (1.0) Calculated Property
Tfus	[240.10; 240.15]	K
Tfus	240.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	240.10 ± 0.30	K	NIST
Vc	0.451	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[154.24; 384.16]	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			-1.53800e+01
Coefficient B			7.22640e-01
Coefficient C			-3.89200e-04
Coefficient D			6.61000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	154.24	J/mol×K	273.00	Calculated Property
Cp,gas	194.49	J/mol×K	353.78	Calculated Property
Cp,gas	230.58	J/mol×K	434.56	Calculated Property
Cp,gas	262.71	J/mol×K	515.33	Calculated Property
Cp,gas	291.09	J/mol×K	596.11	Calculated Property
Cp,gas	315.94	J/mol×K	676.89	Calculated Property
Cp,gas	337.47	J/mol×K	757.67	Calculated Property
Cp,gas	355.87	J/mol×K	838.44	Calculated Property
Cp,gas	371.37	J/mol×K	919.22	Calculated Property
Cp,gas	384.16	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0027510; 0.0001804]	Pa×s	[240.12; 465.49]	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			-1.15229e+01
Coefficient B			1.35121e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			240.12
Temperature range, max.			465.49
η	0.0027510	Pa×s	240.12	Calculated Property
η	0.0016170	Pa×s	265.17	Calculated Property
η	0.0010417	Pa×s	290.21	Calculated Property
η	0.0007197	Pa×s	315.25	Calculated Property
η	0.0005250	Pa×s	340.29	Calculated Property
η	0.0003999	Pa×s	365.33	Calculated Property
η	0.0003154	Pa×s	390.37	Calculated Property
η	0.0002560	Pa×s	415.41	Calculated Property
η	0.0002128	Pa×s	440.45	Calculated Property
η	0.0001804	Pa×s	465.49	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1-methylethoxy-.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
These property values are available through the Cheméo API. A free account gives you an access key.