Chemical Properties of Isoamyl phenylethyl ether (CAS 56011-02-0)

InChI

InChI=1S/C13H20O/c1-12(2)8-10-14-11-9-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3

InChI Key

BHQBQWOZHYUVTL-UHFFFAOYSA-N

Formula

C13H20O

SMILES

CC(C)CCOCCc1ccccc1

Molecular Weight¹

192.30

CAS

56011-02-0

Other Names

• isopentyl phenethyl ether

• 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).
• 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	0.5357		Relay (1.0) Calculated Property
ΔfG°	63.55	kJ/mol	Joback Calculated Property
ΔfH°gas	-203.99	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.13	kJ/mol	Joback Calculated Property
ΔvapH°	67.99	kJ/mol	Relay (1.0) Calculated Property
IE	8.72	eV	Relay (1.0) Calculated Property
log10WS	-3.30		Relay (1.0) Calculated Property
logPoct/wat	3.292		Crippen Calculated Property
McVol	176.140	ml/mol	McGowan Calculated Property
Pc	2175.46	kPa	Joback Calculated Property
Inp	[1382.80; 1384.00]
Inp	1384.00		NIST
Inp	1382.80		NIST
Inp	1384.00		NIST
Inp	1382.80		NIST
Ip	[1741.00; 1741.00]
Ip	1741.00		NIST
Ip	1741.00		NIST
Tboil	524.26	K	Relay (1.0) Calculated Property
Tc	731.66	K	Relay (1.0) Calculated Property
Tfus	212.35	K	Relay (1.0) Calculated Property
Vc	0.642	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[239.09; 590.52]	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			-1.90160e+01
Coefficient B			1.10264e+00
Coefficient C			-6.06800e-04
Coefficient D			1.13700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	239.09	J/mol×K	273.00	Calculated Property
Cp,gas	300.16	J/mol×K	353.78	Calculated Property
Cp,gas	354.89	J/mol×K	434.56	Calculated Property
Cp,gas	403.62	J/mol×K	515.33	Calculated Property
Cp,gas	446.74	J/mol×K	596.11	Calculated Property
Cp,gas	484.59	J/mol×K	676.89	Calculated Property
Cp,gas	517.53	J/mol×K	757.67	Calculated Property
Cp,gas	545.93	J/mol×K	838.44	Calculated Property
Cp,gas	570.14	J/mol×K	919.22	Calculated Property
Cp,gas	590.52	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0038006; 0.0001733]	Pa×s	[269.92; 521.42]	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			-1.19739e+01
Coefficient B			1.72785e+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.			269.92
Temperature range, max.			521.42
η	0.0038006	Pa×s	269.92	Calculated Property
η	0.0020847	Pa×s	297.86	Calculated Property
η	0.0012675	Pa×s	325.81	Calculated Property
η	0.0008337	Pa×s	353.75	Calculated Property
η	0.0005831	Pa×s	381.70	Calculated Property
η	0.0004282	Pa×s	409.64	Calculated Property
η	0.0003271	Pa×s	437.59	Calculated Property
η	0.0002580	Pa×s	465.53	Calculated Property
η	0.0002091	Pa×s	493.48	Calculated Property
η	0.0001733	Pa×s	521.42	Calculated Property

Similar Compounds

Find more compounds similar to Isoamyl phenylethyl ether.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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