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_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.
• I : 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	-244.10	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.28	kJ/mol	Joback Calculated Property
ΔvapH°	70.21	kJ/mol	Relay (1.0) Calculated Property
IE	8.36	eV	Relay (1.0) Calculated Property
log10WS	-2.63		Relay (1.0) Calculated Property
logPoct/wat	2.263		Crippen Calculated Property
McVol	145.230	ml/mol	McGowan 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	1452.00		NIST
Inp	1430.00		NIST
Inp	1449.00		NIST
I	2182.00		NIST
Tboil	526.15	K	Relay (1.0) Calculated Property
Tfus	281.72	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	[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

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