Chemical Properties of Benzenepropanoic acid, «alpha»-hydroxy-, (S)- (CAS 20312-36-1)

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

166.17

CAS

20312-36-1

Other Names

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

• 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).
• 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
ΔfG°	-267.69	kJ/mol	Joback Calculated Property
ΔfH°gas	-414.88	kJ/mol	Joback Calculated Property
ΔfusH°	19.36	kJ/mol	Joback Calculated Property
ΔvapH°	77.62	kJ/mol	Joback Calculated Property
log10WS	-1.17		Crippen Calculated Property
logPoct/wat	0.675		Crippen Calculated Property
McVol	127.220	ml/mol	McGowan Calculated Property
Pc	4468.24	kPa	Joback Calculated Property
Inp	[1545.00; 1545.00]
Inp	1545.00		NIST
Inp	1545.00		NIST
Tboil	669.79	K	Joback Calculated Property
Tc	864.81	K	Joback Calculated Property
Tfus	374.18	K	Joback Calculated Property
Vc	0.469	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[326.39; 370.66]	J/mol×K	[669.79; 864.81]
Cp,gas	326.39	J/mol×K	669.79	Joback Calculated Property
Cp,gas	335.08	J/mol×K	702.29	Joback Calculated Property
Cp,gas	343.21	J/mol×K	734.80	Joback Calculated Property
Cp,gas	350.81	J/mol×K	767.30	Joback Calculated Property
Cp,gas	357.90	J/mol×K	799.80	Joback Calculated Property
Cp,gas	364.51	J/mol×K	832.31	Joback Calculated Property
Cp,gas	370.66	J/mol×K	864.81	Joback Calculated Property
η	[0.0000199; 0.0065458]	Pa×s	[374.18; 669.79]
η	0.0065458	Pa×s	374.18	Joback Calculated Property
η	0.0014200	Pa×s	423.45	Joback Calculated Property
η	0.0004236	Pa×s	472.72	Joback Calculated Property
η	0.0001588	Pa×s	521.99	Joback Calculated Property
η	0.0000705	Pa×s	571.25	Joback Calculated Property
η	0.0000356	Pa×s	620.52	Joback Calculated Property
η	0.0000199	Pa×s	669.79	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzenepropanoic acid, «alpha»-hydroxy-, (S)-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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