Chemical Properties of o-Isopropylanisole (CAS 2944-47-0)

InChI

InChI=1S/C10H14O/c1-8(2)9-6-4-5-7-10(9)11-3/h4-8H,1-3H3

InChI Key

NNZRVXTXKISCGS-UHFFFAOYSA-N

Formula

C10H14O

SMILES

COc1ccccc1C(C)C

Molecular Weight¹

150.22

CAS

2944-47-0

Other Names

• Anisole, o-isopropyl-
• Benzene, 1-methoxy-2-(1-methylethyl)-
• 2-(o-Methoxyphenyl)propane

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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.
• 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
ΔfH°gas	-150.66	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	12.97	kJ/mol	Joback Calculated Property
ΔvapH°	58.31	kJ/mol	Relay (1.0) Calculated Property
IE	8.00	eV	Relay (1.0) Calculated Property
log10WS	-3.12		Relay (1.0) Calculated Property
logPoct/wat	2.819		Crippen Calculated Property
McVol	133.870	ml/mol	McGowan Calculated Property
Pc	2856.62	kPa	Joback Calculated Property
Inp	[1118.00; 1118.00]
Inp	1118.00		NIST
Inp	1118.00		NIST
Tboil	472.20	K	Relay (1.0) Calculated Property
Tc	679.14	K	Relay (1.0) Calculated Property
Tfus	261.13	K	Relay (1.0) Calculated Property
Vc	0.481	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[178.00; 432.71]	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			-1.99000e+00
Coefficient B			7.58160e-01
Coefficient C			-3.76560e-04
Coefficient D			5.31000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	178.00	J/mol×K	273.00	Calculated Property
Cp,gas	221.45	J/mol×K	353.78	Calculated Property
Cp,gas	260.72	J/mol×K	434.56	Calculated Property
Cp,gas	295.98	J/mol×K	515.33	Calculated Property
Cp,gas	327.40	J/mol×K	596.11	Calculated Property
Cp,gas	355.14	J/mol×K	676.89	Calculated Property
Cp,gas	379.37	J/mol×K	757.67	Calculated Property
Cp,gas	400.27	J/mol×K	838.44	Calculated Property
Cp,gas	417.99	J/mol×K	919.22	Calculated Property
Cp,gas	432.71	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0026779; 0.0001754]	Pa×s	[248.63; 483.86]	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			-1.15299e+01
Coefficient B			1.39411e+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.			248.63
Temperature range, max.			483.86
η	0.0026779	Pa×s	248.63	Calculated Property
η	0.0015709	Pa×s	274.77	Calculated Property
η	0.0010110	Pa×s	300.90	Calculated Property
η	0.0006981	Pa×s	327.04	Calculated Property
η	0.0005093	Pa×s	353.18	Calculated Property
η	0.0003880	Pa×s	379.31	Calculated Property
η	0.0003061	Pa×s	405.45	Calculated Property
η	0.0002486	Pa×s	431.59	Calculated Property
η	0.0002067	Pa×s	457.72	Calculated Property
η	0.0001754	Pa×s	483.86	Calculated Property

Similar Compounds

Find more compounds similar to o-Isopropylanisole.

Sources

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

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