Chemical Properties of 4-Phenyl-2-butanol (CAS 2344-70-9)

InChI

InChI=1S/C10H14O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3

InChI Key

GDWRKZLROIFUML-UHFFFAOYSA-N

Formula

C10H14O

SMILES

CC(O)CCc1ccccc1

Molecular Weight¹

150.22

CAS

2344-70-9

Other Names

• 4-Phenylbutan-2-ol
• Benzenepropanol, «alpha»-methyl-
• «alpha»-Methylbenzenepropanol

• 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 : 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	0.6131		Relay (1.0) Calculated Property
ΔfG°	6.47	kJ/mol	Joback Calculated Property
ΔfH°gas	-182.02	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.26	kJ/mol	Joback Calculated Property
ΔvapH°	78.93	kJ/mol	Relay (1.0) Calculated Property
IE	8.88	eV	Relay (1.0) Calculated Property
log10WS	-1.25		Relay (1.0) Calculated Property
logPoct/wat	2.000		Crippen Calculated Property
McVol	133.870	ml/mol	McGowan Calculated Property
Pc	3276.53	kPa	Joback Calculated Property
Inp	[1241.00; 1241.00]
Inp	1241.00		NIST
Inp	1241.00		NIST
I	[2029.00; 2029.00]
I	2029.00		NIST
I	2029.00		NIST
Tboil	511.49	K	Relay (1.0) Calculated Property
Tc	713.12	K	Relay (1.0) Calculated Property
Tfus	267.50	K	Relay (1.0) Calculated Property
Vc	0.491	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[172.55; 435.92]	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			-3.64980e+01
Coefficient B			9.14820e-01
Coefficient C			-5.85000e-04
Coefficient D			1.42600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	172.55	J/mol×K	273.00	Calculated Property
Cp,gas	220.24	J/mol×K	353.78	Calculated Property
Cp,gas	262.27	J/mol×K	434.56	Calculated Property
Cp,gas	299.10	J/mol×K	515.33	Calculated Property
Cp,gas	331.16	J/mol×K	596.11	Calculated Property
Cp,gas	358.92	J/mol×K	676.89	Calculated Property
Cp,gas	382.83	J/mol×K	757.67	Calculated Property
Cp,gas	403.33	J/mol×K	838.44	Calculated Property
Cp,gas	420.88	J/mol×K	919.22	Calculated Property
Cp,gas	435.92	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0247773; 0.0001328]	Pa×s	[274.70; 520.29]	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			-1.47749e+01
Coefficient B			3.04287e+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.			274.70
Temperature range, max.			520.29
η	0.0247773	Pa×s	274.70	Calculated Property
η	0.0091066	Pa×s	301.99	Calculated Property
η	0.0039510	Pa×s	329.28	Calculated Property
η	0.0019479	Pa×s	356.56	Calculated Property
η	0.0010619	Pa×s	383.85	Calculated Property
η	0.0006275	Pa×s	411.14	Calculated Property
η	0.0003959	Pa×s	438.43	Calculated Property
η	0.0002636	Pa×s	465.71	Calculated Property
η	0.0001836	Pa×s	493.00	Calculated Property
η	0.0001328	Pa×s	520.29	Calculated Property

Similar Compounds

Find more compounds similar to 4-Phenyl-2-butanol.

Sources

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

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