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_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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-435.86	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.55	kJ/mol	Joback Calculated Property
ΔvapH°	79.82	kJ/mol	Relay (1.0) Calculated Property
IE	8.32	eV	Relay (1.0) Calculated Property
log10WS	-1.51		Relay (1.0) Calculated Property
logPoct/wat	1.831		Crippen Calculated Property
McVol	151.100	ml/mol	McGowan Calculated Property
Inp	[1550.20; 1550.20]
Inp	1550.20		NIST
Inp	1550.20		NIST
Tboil	539.28	K	Relay (1.0) Calculated Property
Tfus	335.15	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[374.51; 432.83]	J/mol×K	[629.58; 831.49]
Cp,gas	374.51	J/mol×K	629.58	Joback Calculated Property
Cp,gas	385.98	J/mol×K	663.23	Joback Calculated Property
Cp,gas	396.73	J/mol×K	696.88	Joback Calculated Property
Cp,gas	406.76	J/mol×K	730.53	Joback Calculated Property
Cp,gas	416.11	J/mol×K	764.19	Joback Calculated Property
Cp,gas	424.80	J/mol×K	797.84	Joback Calculated Property
Cp,gas	432.83	J/mol×K	831.49	Joback Calculated Property
η	[0.0000529; 0.0054880]	Pa×s	[339.06; 629.58]
η	0.0054880	Pa×s	339.06	Joback Calculated Property
η	0.0015615	Pa×s	387.48	Joback Calculated Property
η	0.0005874	Pa×s	435.90	Joback Calculated Property
η	0.0002687	Pa×s	484.32	Joback Calculated Property
η	0.0001417	Pa×s	532.74	Joback Calculated Property
η	0.0000831	Pa×s	581.16	Joback Calculated Property
η	0.0000529	Pa×s	629.58	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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