Chemical Properties of Phenol, 4-(2-propenyl)-, acetate (CAS 61499-22-7)

InChI

InChI=1S/C11H12O2/c1-3-4-10-5-7-11(8-6-10)13-9(2)12/h3,5-8H,1,4H2,2H3

InChI Key

AXHHVVBUOKYKJO-UHFFFAOYSA-N

Formula

C11H12O2

SMILES

C=CCc1ccc(OC(C)=O)cc1

Molecular Weight¹

176.21

CAS

61499-22-7

Other Names

• 4-Allylphenyl acetate
• Chavicol, acetate
• 4-(2-Propenyl)phenyl acetate

• 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	-249.82	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.99	kJ/mol	Joback Calculated Property
ΔvapH°	63.54	kJ/mol	Relay (1.0) Calculated Property
IE	8.25	eV	Relay (1.0) Calculated Property
log10WS	-2.96		Relay (1.0) Calculated Property
logPoct/wat	2.340		Crippen Calculated Property
McVol	145.230	ml/mol	McGowan Calculated Property
Inp	[1309.00; 1350.60]
Inp	1322.00		NIST
Inp	1309.00		NIST
Inp	1314.00		NIST
Inp	1350.60		NIST
Inp	1322.00		NIST
Inp	1315.00		NIST
Inp	1309.00		NIST
Inp	1350.60		NIST
I	1949.00		NIST
Tboil	523.01	K	Relay (1.0) Calculated Property
Tfus	268.30	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	[322.56; 393.71]	J/mol×K	[537.84; 750.05]
Cp,gas	322.56	J/mol×K	537.84	Joback Calculated Property
Cp,gas	336.40	J/mol×K	573.21	Joback Calculated Property
Cp,gas	349.42	J/mol×K	608.58	Joback Calculated Property
Cp,gas	361.64	J/mol×K	643.94	Joback Calculated Property
Cp,gas	373.08	J/mol×K	679.31	Joback Calculated Property
Cp,gas	383.76	J/mol×K	714.68	Joback Calculated Property
Cp,gas	393.71	J/mol×K	750.05	Joback Calculated Property
η	[0.0001830; 0.0023755]	Pa×s	[293.24; 537.84]
η	0.0023755	Pa×s	293.24	Joback Calculated Property
η	0.0011939	Pa×s	334.01	Joback Calculated Property
η	0.0006969	Pa×s	374.77	Joback Calculated Property
η	0.0004521	Pa×s	415.54	Joback Calculated Property
η	0.0003169	Pa×s	456.31	Joback Calculated Property
η	0.0002355	Pa×s	497.07	Joback Calculated Property
η	0.0001830	Pa×s	537.84	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phenol, 4-(2-propenyl)-, 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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