Chemical Properties of Benzeneethanol, «beta»-methyl-, acetate (CAS 10402-52-5)

InChI

InChI=1S/C11H14O2/c1-9(8-13-10(2)12)11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3

InChI Key

RVPTTWAAIKMYAH-UHFFFAOYSA-N

Formula

C11H14O2

SMILES

CC(=O)OCC(C)c1ccccc1

Molecular Weight¹

178.23

CAS

10402-52-5

Other Names

• 2-Phenylpropyl acetate
• Hydratropic acetate
• Hydratropyl acetate
• Phenethyl alcohol, «beta»-methyl-, acetate
• «beta»-Methylphenethyl acetate
• «beta»-Methylphenylethyl acetate
• «beta»-Phenylpropyl acetate

• ω : Acentric Factor.
• 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).
• P_c : Critical Pressure (kPa).
• 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
ω	0.4646		Relay (1.0) Calculated Property
ΔfH°gas	-354.56	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.13	kJ/mol	Joback Calculated Property
ΔvapH°	69.99	kJ/mol	Relay (1.0) Calculated Property
IE	8.66	eV	Relay (1.0) Calculated Property
log10WS	-2.44		Relay (1.0) Calculated Property
logPoct/wat	2.353		Crippen Calculated Property
McVol	149.530	ml/mol	McGowan Calculated Property
Pc	2684.64	kPa	Joback Calculated Property
I	[1927.00; 1929.00]
I	1927.00		NIST
I	1929.00		NIST
Tboil	515.64	K	Relay (1.0) Calculated Property
Tc	718.09	K	Relay (1.0) Calculated Property
Tfus	231.34	K	Relay (1.0) Calculated Property
Vc	0.536	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[341.98; 420.20]	J/mol×K	[535.74; 746.99]
Cp,gas	341.98	J/mol×K	535.74	Joback Calculated Property
Cp,gas	357.20	J/mol×K	570.95	Joback Calculated Property
Cp,gas	371.51	J/mol×K	606.16	Joback Calculated Property
Cp,gas	384.95	J/mol×K	641.36	Joback Calculated Property
Cp,gas	397.52	J/mol×K	676.57	Joback Calculated Property
Cp,gas	409.27	J/mol×K	711.78	Joback Calculated Property
Cp,gas	420.20	J/mol×K	746.99	Joback Calculated Property
η	[0.0001734; 0.0051094]	Pa×s	[267.48; 535.74]
η	0.0051094	Pa×s	267.48	Joback Calculated Property
η	0.0019416	Pa×s	312.19	Joback Calculated Property
η	0.0009402	Pa×s	356.90	Joback Calculated Property
η	0.0005351	Pa×s	401.61	Joback Calculated Property
η	0.0003409	Pa×s	446.32	Joback Calculated Property
η	0.0002358	Pa×s	491.03	Joback Calculated Property
η	0.0001734	Pa×s	535.74	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzeneethanol, «beta»-methyl-, acetate.

Sources

• Cheméo Relay (1.0)
• 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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