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

• 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 : 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
ΔfG°	29.87	kJ/mol	Joback Calculated Property
ΔfH°gas	-130.06	kJ/mol	Joback Calculated Property
ΔfusH°	10.77	kJ/mol	Joback Calculated Property
ΔvapH°	39.93	kJ/mol	Joback Calculated Property
IE	8.32	eV	NIST
log10WS	-2.54		Crippen 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
I	[1420.00; 1425.00]
I	1420.00		NIST
I	1425.00		NIST
Tboil	[450.00; 450.40]	K
Tboil	450.00 ± 0.50	K	NIST
Tboil	450.40 ± 0.50	K	NIST
Tc	664.69	K	Joback Calculated Property
Tfus	240.10 ± 0.30	K	NIST
Vc	0.444	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[238.66; 312.41]	J/mol×K	[453.98; 664.69]
Cp,gas	238.66	J/mol×K	453.98	Joback Calculated Property
Cp,gas	252.69	J/mol×K	489.10	Joback Calculated Property
Cp,gas	266.01	J/mol×K	524.22	Joback Calculated Property
Cp,gas	278.62	J/mol×K	559.33	Joback Calculated Property
Cp,gas	290.55	J/mol×K	594.45	Joback Calculated Property
Cp,gas	301.80	J/mol×K	629.57	Joback Calculated Property
Cp,gas	312.41	J/mol×K	664.69	Joback Calculated Property
η	[0.0001942; 0.0040329]	Pa×s	[224.84; 453.98]
η	0.0040329	Pa×s	224.84	Joback Calculated Property
η	0.0016853	Pa×s	263.03	Joback Calculated Property
η	0.0008786	Pa×s	301.22	Joback Calculated Property
η	0.0005304	Pa×s	339.41	Joback Calculated Property
η	0.0003546	Pa×s	377.60	Joback Calculated Property
η	0.0002553	Pa×s	415.79	Joback Calculated Property
η	0.0001942	Pa×s	453.98	Joback Calculated Property
ΔvapH	49.50	kJ/mol	396.50	NIST

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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