Chemical Properties of (S)-4-(1-Acetoxyallyl)phenyl acetate (CAS 52946-22-2)

InChI

InChI=1S/C13H14O4/c1-4-13(17-10(3)15)11-5-7-12(8-6-11)16-9(2)14/h4-8,13H,1H2,2-3H3/t13-/m1/s1

InChI Key

JAMQIUWGGBSIKZ-CYBMUJFWSA-N

Formula

C13H14O4

SMILES

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

Molecular Weight¹

234.25

CAS

52946-22-2

• 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°	-221.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-456.04	kJ/mol	Joback Calculated Property
ΔfusH°	23.85	kJ/mol	Joback Calculated Property
ΔvapH°	64.72	kJ/mol	Joback Calculated Property
log10WS	-3.02		Crippen Calculated Property
logPoct/wat	2.402		Crippen Calculated Property
McVol	180.850	ml/mol	McGowan Calculated Property
Pc	2480.12	kPa	Joback Calculated Property
Inp	[1649.50; 1649.50]
Inp	1649.50		NIST
Inp	1649.50		NIST
Tboil	677.32	K	Joback Calculated Property
Tc	893.68	K	Joback Calculated Property
Tfus	402.77	K	Joback Calculated Property
Vc	0.678	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[465.07; 533.27]	J/mol×K	[677.32; 893.68]
Cp,gas	465.07	J/mol×K	677.32	Joback Calculated Property
Cp,gas	478.64	J/mol×K	713.38	Joback Calculated Property
Cp,gas	491.31	J/mol×K	749.44	Joback Calculated Property
Cp,gas	503.10	J/mol×K	785.50	Joback Calculated Property
Cp,gas	514.02	J/mol×K	821.56	Joback Calculated Property
Cp,gas	524.07	J/mol×K	857.62	Joback Calculated Property
Cp,gas	533.27	J/mol×K	893.68	Joback Calculated Property
η	[0.0001301; 0.0012222]	Pa×s	[402.77; 677.32]
η	0.0012222	Pa×s	402.77	Joback Calculated Property
η	0.0006955	Pa×s	448.53	Joback Calculated Property
η	0.0004393	Pa×s	494.29	Joback Calculated Property
η	0.0002999	Pa×s	540.04	Joback Calculated Property
η	0.0002174	Pa×s	585.80	Joback Calculated Property
η	0.0001651	Pa×s	631.56	Joback Calculated Property
η	0.0001301	Pa×s	677.32	Joback Calculated Property

Similar Compounds

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

Sources

• 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.