Chemical Properties of Benzenemethanol, «alpha»-cyclopropyl-4-ethyl- (CAS 84100-47-0)

InChI

InChI=1S/C12H16O/c1-2-9-3-5-10(6-4-9)12(13)11-7-8-11/h3-6,11-13H,2,7-8H2,1H3

InChI Key

QAJOIUSWRDELCI-UHFFFAOYSA-N

Formula

C12H16O

SMILES

CCc1ccc(C(O)C2CC2)cc1

Molecular Weight¹

176.25

CAS

84100-47-0

Other Names

• Cyclopropyl 4-ethylphenyl carbinol
• «alpha»-cyclopropyl-4-ethylbenzyl alcohol

• ω : Acentric Factor.
• 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).
• 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

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[194.09; 515.80]	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			-7.42590e+01
Coefficient B			1.19622e+00
Coefficient C			-8.46960e-04
Coefficient D			2.40800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	194.09	J/mol×K	273.00	Calculated Property
Cp,gas	253.59	J/mol×K	353.78	Calculated Property
Cp,gas	305.39	J/mol×K	434.56	Calculated Property
Cp,gas	350.22	J/mol×K	515.33	Calculated Property
Cp,gas	388.86	J/mol×K	596.11	Calculated Property
Cp,gas	422.07	J/mol×K	676.89	Calculated Property
Cp,gas	450.61	J/mol×K	757.67	Calculated Property
Cp,gas	475.23	J/mol×K	838.44	Calculated Property
Cp,gas	496.71	J/mol×K	919.22	Calculated Property
Cp,gas	515.80	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0066218; 0.0002147]	Pa×s	[327.70; 566.76]	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			-1.31470e+01
Coefficient B			2.66409e+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.			327.70
Temperature range, max.			566.76
η	0.0066218	Pa×s	327.70	Calculated Property
η	0.0035996	Pa×s	354.26	Calculated Property
η	0.0021304	Pa×s	380.82	Calculated Property
η	0.0013501	Pa×s	407.39	Calculated Property
η	0.0009048	Pa×s	433.95	Calculated Property
η	0.0006350	Pa×s	460.51	Calculated Property
η	0.0004632	Pa×s	487.07	Calculated Property
η	0.0003491	Pa×s	513.63	Calculated Property
η	0.0002705	Pa×s	540.20	Calculated Property
η	0.0002147	Pa×s	566.76	Calculated Property

Similar Compounds

Find more compounds similar to Benzenemethanol, «alpha»-cyclopropyl-4-ethyl-.

Sources

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

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