Chemical Properties of (S)-4-(1-Hydroxyallyl)phenyl acetate (CAS 343583-65-3)

InChI

InChI=1S/C11H12O3/c1-3-11(13)9-4-6-10(7-5-9)14-8(2)12/h3-7,11,13H,1H2,2H3/t11-/m1/s1

InChI Key

GKYVDAMMLMMJGZ-LLVKDONJSA-N

Formula

C11H12O3

SMILES

C=CC(O)c1ccc(OC(C)=O)cc1

Molecular Weight¹

192.21

CAS

343583-65-3

• 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°	-140.82	kJ/mol	Joback Calculated Property
ΔfH°gas	-322.19	kJ/mol	Joback Calculated Property
ΔfusH°	19.97	kJ/mol	Joback Calculated Property
ΔvapH°	67.80	kJ/mol	Joback Calculated Property
log10WS	-2.58		Crippen Calculated Property
logPoct/wat	1.831		Crippen Calculated Property
McVol	151.100	ml/mol	McGowan Calculated Property
Pc	3191.93	kPa	Joback Calculated Property
Inp	[1550.20; 1550.20]
Inp	1550.20		NIST
Inp	1550.20		NIST
Tboil	647.45	K	Joback Calculated Property
Tc	851.46	K	Joback Calculated Property
Tfus	368.89	K	Joback Calculated Property
Vc	0.561	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[377.46; 435.05]	J/mol×K	[647.45; 851.46]
Cp,gas	377.46	J/mol×K	647.45	Joback Calculated Property
Cp,gas	388.70	J/mol×K	681.45	Joback Calculated Property
Cp,gas	399.26	J/mol×K	715.45	Joback Calculated Property
Cp,gas	409.15	J/mol×K	749.45	Joback Calculated Property
Cp,gas	418.40	J/mol×K	783.46	Joback Calculated Property
Cp,gas	427.03	J/mol×K	817.46	Joback Calculated Property
Cp,gas	435.05	J/mol×K	851.46	Joback Calculated Property
η	[0.0000555; 0.0028895]	Pa×s	[368.89; 647.45]
η	0.0028895	Pa×s	368.89	Joback Calculated Property
η	0.0010347	Pa×s	415.32	Joback Calculated Property
η	0.0004555	Pa×s	461.74	Joback Calculated Property
η	0.0002330	Pa×s	508.17	Joback Calculated Property
η	0.0001333	Pa×s	554.60	Joback Calculated Property
η	0.0000832	Pa×s	601.02	Joback Calculated Property
η	0.0000555	Pa×s	647.45	Joback Calculated Property

Similar Compounds

Find more compounds similar to (S)-4-(1-Hydroxyallyl)phenyl acetate.

Sources

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

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