Chemical Properties of «beta»-Phenylethylmethylethylcarbinol (CAS 10415-87-9)

InChI

InChI=1S/C12H18O/c1-3-12(2,13)10-9-11-7-5-4-6-8-11/h4-8,13H,3,9-10H2,1-2H3

InChI Key

AEJRTNBCFUOSEM-UHFFFAOYSA-N

Formula

C12H18O

SMILES

CCC(C)(O)CCc1ccccc1

Molecular Weight¹

178.27

CAS

10415-87-9

Other Names

• Benzenepropanol, «alpha»-ethyl-«alpha»-methyl-
• Phenethylmethylethylcarbinol
• Phenylethyl methyl ethyl carbinol
• 3-Pentanol, 3-methyl-1-phenyl-
• 1-Phenyl-3-methyl-3-pentanol
• 3-methyl-1-phenylpentan-3-ol

• 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).
• 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[213.83; 540.03]	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			-6.11070e+01
Coefficient B			1.22474e+00
Coefficient C			-8.62400e-04
Coefficient D			2.38800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	213.83	J/mol×K	273.00	Calculated Property
Cp,gas	274.82	J/mol×K	353.78	Calculated Property
Cp,gas	327.85	J/mol×K	434.56	Calculated Property
Cp,gas	373.70	J/mol×K	515.33	Calculated Property
Cp,gas	413.11	J/mol×K	596.11	Calculated Property
Cp,gas	446.83	J/mol×K	676.89	Calculated Property
Cp,gas	475.63	J/mol×K	757.67	Calculated Property
Cp,gas	500.26	J/mol×K	838.44	Calculated Property
Cp,gas	521.48	J/mol×K	919.22	Calculated Property
Cp,gas	540.03	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0112365; 0.0001034]	Pa×s	[314.66; 551.63]	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			-1.54017e+01
Coefficient B			3.43391e+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.			314.66
Temperature range, max.			551.63
η	0.0112365	Pa×s	314.66	Calculated Property
η	0.0048380	Pa×s	340.99	Calculated Property
η	0.0023505	Pa×s	367.32	Calculated Property
η	0.0012578	Pa×s	393.65	Calculated Property
η	0.0007279	Pa×s	419.98	Calculated Property
η	0.0004494	Pa×s	446.31	Calculated Property
η	0.0002927	Pa×s	472.64	Calculated Property
η	0.0001995	Pa×s	498.97	Calculated Property
η	0.0001413	Pa×s	525.30	Calculated Property
η	0.0001034	Pa×s	551.63	Calculated Property

Similar Compounds

Find more compounds similar to «beta»-Phenylethylmethylethylcarbinol.

Sources

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

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