Chemical Properties of 2-Propen-1-ol, 3-phenyl-, acetate, (E)- (CAS 21040-45-9)

InChI

InChI=1S/C11H12O2/c1-10(12)13-9-5-8-11-6-3-2-4-7-11/h2-8H,9H2,1H3/b8-5+

InChI Key

WJSDHUCWMSHDCR-VMPITWQZSA-N

Formula

C11H12O2

SMILES

CC(=O)OCC=Cc1ccccc1

Molecular Weight¹

176.21

CAS

21040-45-9

Other Names

• (2E)-3-Phenyl-2-propenyl acetate
• (E)-Cinnamyl acetate
• trans-Cinnamyl acetate
• Cinnamyl alcohol, acetate, (E)-

• 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.
• I : 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°	0.45	kJ/mol	Joback Calculated Property
ΔfH°gas	-161.42	kJ/mol	Joback Calculated Property
ΔfusH°	21.28	kJ/mol	Joback Calculated Property
ΔvapH°	51.47	kJ/mol	Joback Calculated Property
log10WS	-2.41		Crippen Calculated Property
logPoct/wat	2.263		Crippen Calculated Property
McVol	145.230	ml/mol	McGowan Calculated Property
Pc	2937.70	kPa	Joback Calculated Property
Inp	[1400.00; 1452.00]
Inp	1430.00		NIST
Inp	1434.00		NIST
Inp	1439.00		NIST
Inp	1444.00		NIST
Inp	1452.00		NIST
Inp	1448.00		NIST
Inp	1420.00		NIST
Inp	1446.00		NIST
Inp	Outlier 1400.00		NIST
Inp	1430.00		NIST
Inp	1414.00		NIST
Inp	1449.00		NIST
Inp	1443.00		NIST
Inp	1446.00		NIST
Inp	1414.00		NIST
Inp	1449.00		NIST
Inp	1430.00		NIST
I	2182.00		NIST
Tboil	558.21	K	Joback Calculated Property
Tc	776.95	K	Joback Calculated Property
Tfus	307.23	K	Joback Calculated Property
Vc	0.547	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[327.27; 398.33]	J/mol×K	[558.21; 776.95]
Cp,gas	327.27	J/mol×K	558.21	Joback Calculated Property
Cp,gas	341.18	J/mol×K	594.67	Joback Calculated Property
Cp,gas	354.22	J/mol×K	631.12	Joback Calculated Property
Cp,gas	366.41	J/mol×K	667.58	Joback Calculated Property
Cp,gas	377.80	J/mol×K	704.04	Joback Calculated Property
Cp,gas	388.43	J/mol×K	740.50	Joback Calculated Property
Cp,gas	398.33	J/mol×K	776.95	Joback Calculated Property
η	[0.0001704; 0.0021241]	Pa×s	[307.23; 558.21]
η	0.0021241	Pa×s	307.23	Joback Calculated Property
η	0.0010842	Pa×s	349.06	Joback Calculated Property
η	0.0006391	Pa×s	390.89	Joback Calculated Property
η	0.0004172	Pa×s	432.72	Joback Calculated Property
η	0.0002937	Pa×s	474.55	Joback Calculated Property
η	0.0002188	Pa×s	516.38	Joback Calculated Property
η	0.0001704	Pa×s	558.21	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Propen-1-ol, 3-phenyl-, acetate, (E)-.

Sources

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

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.