Chemical Properties of L-(-)-2-HYDROXY-3-PHENYLPROPIONIC ACID

InChI

InChI=1S/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)

InChI Key

VOXXWSYKYCBWHO-UHFFFAOYSA-N

Formula

C9H10O3

SMILES

O=C(O)C(O)Cc1ccccc1

Molecular Weight¹

166.18

Other Names

• L-(-)-3-phenyllactic acid
• «alpha»-Hydroxyphenylpropanoic acid

• 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).
• 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
ω	0.7910		Relay (1.0) Calculated Property
ΔfH°gas	-488.42	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.82	kJ/mol	Joback Calculated Property
ΔvapH°	93.71	kJ/mol	Relay (1.0) Calculated Property
IE	9.15	eV	Relay (1.0) Calculated Property
log10WS	-0.28		Relay (1.0) Calculated Property
logPoct/wat	0.675		Crippen Calculated Property
McVol	127.220	ml/mol	McGowan Calculated Property
Pc	4098.62	kPa	Joback Calculated Property
Inp	[1545.00; 1545.00]
Inp	1545.00		NIST
Inp	1545.00		NIST
Tboil	548.74	K	Relay (1.0) Calculated Property
Tc	807.23	K	Relay (1.0) Calculated Property
Tfus	347.04	K	Relay (1.0) Calculated Property
Vc	0.457	m3/kmol	Relay (1.0) Calculated Property

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	[164.96; 395.11]	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			-3.09890e+01
Coefficient B			8.70600e-01
Coefficient C			-6.03200e-04
Coefficient D			1.58700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	164.96	J/mol×K	273.00	Calculated Property
Cp,gas	208.54	J/mol×K	353.78	Calculated Property
Cp,gas	246.45	J/mol×K	434.56	Calculated Property
Cp,gas	279.19	J/mol×K	515.33	Calculated Property
Cp,gas	307.26	J/mol×K	596.11	Calculated Property
Cp,gas	331.16	J/mol×K	676.89	Calculated Property
Cp,gas	351.39	J/mol×K	757.67	Calculated Property
Cp,gas	368.46	J/mol×K	838.44	Calculated Property
Cp,gas	382.86	J/mol×K	919.22	Calculated Property
Cp,gas	395.11	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014067; 0.0000909]	Pa×s	[424.03; 616.74]	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			-1.53340e+01
Coefficient B			3.71765e+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.			424.03
Temperature range, max.			616.74
η	0.0014067	Pa×s	424.03	Calculated Property
η	0.0009229	Pa×s	445.44	Calculated Property
η	0.0006294	Pa×s	466.85	Calculated Property
η	0.0004439	Pa×s	488.27	Calculated Property
η	0.0003224	Pa×s	509.68	Calculated Property
η	0.0002402	Pa×s	531.09	Calculated Property
η	0.0001832	Pa×s	552.50	Calculated Property
η	0.0001425	Pa×s	573.91	Calculated Property
η	0.0001129	Pa×s	595.33	Calculated Property
η	0.0000909	Pa×s	616.74	Calculated Property

Similar Compounds

Find more compounds similar to L-(-)-2-HYDROXY-3-PHENYLPROPIONIC ACID.

Sources

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

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