Chemical Properties of Benzenemethanol, «alpha»-methyl-, (S)- (CAS 1445-91-6)

InChI

InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-/m1/s1

InChI Key

WAPNOHKVXSQRPX-SSDOTTSWSA-N

Formula

C8H10O

SMILES

CC(O)c1ccccc1

Molecular Weight¹

122.16

CAS

1445-91-6

Other Names

• (R)-(+)-1-phenylethanol
• Benzenemethanol, «alpha»-methyl-, («alpha»S)-

• 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).
• ρ_l : Liquid Density (kg/m³).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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

Temperature Dependent Properties

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[130.12; 332.74]	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			-3.46800e+01
Coefficient B			7.24820e-01
Coefficient C			-4.76200e-04
Coefficient D			1.18800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	130.12	J/mol×K	273.00	Calculated Property
Cp,gas	167.40	J/mol×K	353.78	Calculated Property
Cp,gas	200.12	J/mol×K	434.56	Calculated Property
Cp,gas	228.64	J/mol×K	515.33	Calculated Property
Cp,gas	253.34	J/mol×K	596.11	Calculated Property
Cp,gas	274.60	J/mol×K	676.89	Calculated Property
Cp,gas	292.80	J/mol×K	757.67	Calculated Property
Cp,gas	308.30	J/mol×K	838.44	Calculated Property
Cp,gas	321.49	J/mol×K	919.22	Calculated Property
Cp,gas	332.74	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0382650; 0.0001533]	Pa×s	[252.16; 492.11]	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			-1.45836e+01
Coefficient B			2.85455e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			252.16
Temperature range, max.			492.11
η	0.0382650	Pa×s	252.16	Calculated Property
η	0.0129628	Pa×s	278.82	Calculated Property
η	0.0053046	Pa×s	305.48	Calculated Property
η	0.0025055	Pa×s	332.14	Calculated Property
η	0.0013230	Pa×s	358.80	Calculated Property
η	0.0007631	Pa×s	385.46	Calculated Property
η	0.0004726	Pa×s	412.12	Calculated Property
η	0.0003103	Pa×s	438.79	Calculated Property
η	0.0002138	Pa×s	465.45	Calculated Property
η	0.0001533	Pa×s	492.11	Calculated Property

Similar Compounds

Find more compounds similar to Benzenemethanol, «alpha»-methyl-, (S)-.

Mixtures

• Benzenemethanol, «alpha»-methyl-, (R)- + Benzenemethanol, «alpha»-methyl-, (S)-

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Enthalpic changes on mixing two couples of S- and R-enantiomers of benzyl-(1-phenyl-ethyl)-amine, 1-phenylethylamine, 1-phenyl-ethanol, butyric acid oxiranylmethyl ester, 4-methyl-[1,3]dioxolan-2-one, 2-chloro-methyloxirane and 3-hydroxyisobutyric acid methyl ester at T = 298.15 K
• Joback Method
• McGowan Method
• NIST Webbook

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