Chemical Properties of Propanoic acid, 2-methyl-, 2-phenylethyl ester (CAS 103-48-0)

InChI

InChI=1S/C12H16O2/c1-10(2)12(13)14-9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3

InChI Key

JDQVBGQWADMTAM-UHFFFAOYSA-N

Formula

C12H16O2

SMILES

CC(C)C(=O)OCCc1ccccc1

Molecular Weight¹

192.25

CAS

103-48-0

Other Names

• Isobutyric acid, phenethyl ester
• «beta»-Phenylethyl isobutyrate
• Benzylcarbinol isobutyrate
• Benzylcarbinyl isobutyrate
• Phenethyl isobutyrate
• 2-Phenylethyl isobutyrate
• Phenylethyl isobutyrate
• 2-Phenylethyl 2-methylpropionate
• 2-Phenylethyl isobutanoate
• Phenethyl 2-methylpropanoate
• Phenylethyl 2-methylpropanoate
• Phenethyl 2-methylpropionate
• 2-Phenylethyl 2-methylpropanoate

• 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°	-73.79	kJ/mol	Joback Calculated Property
ΔfH°gas	-304.56	kJ/mol	Joback Calculated Property
ΔfusH°	20.14	kJ/mol	Joback Calculated Property
ΔvapH°	53.35	kJ/mol	Joback Calculated Property
log10WS	-2.57		Crippen Calculated Property
logPoct/wat	2.428		Crippen Calculated Property
McVol	163.620	ml/mol	McGowan Calculated Property
Pc	2537.93	kPa	Joback Calculated Property
Inp	[1368.00; 1403.00]
Inp	1375.00		NIST
Inp	1375.30		NIST
Inp	1395.00		NIST
Inp	1396.00		NIST
Inp	1375.00		NIST
Inp	1400.00		NIST
Inp	1368.00		NIST
Inp	1371.00		NIST
Inp	1368.00		NIST
Inp	1396.00		NIST
Inp	1403.00		NIST
Inp	1374.00		NIST
Inp	1368.00		NIST
I	[1850.00; 1935.00]
I	1900.00		NIST
I	1883.00		NIST
I	1935.00		NIST
I	1875.00		NIST
I	1896.00		NIST
I	1877.00		NIST
I	1916.00		NIST
I	1850.00		NIST
I	1855.00		NIST
I	1896.00		NIST
Tboil	576.49	K	Joback Calculated Property
Tc	786.80	K	Joback Calculated Property
Tfus	308.58	K	Joback Calculated Property
Vc	0.618	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[394.41; 474.82]	J/mol×K	[576.49; 786.80]
Cp,gas	394.41	J/mol×K	576.49	Joback Calculated Property
Cp,gas	409.96	J/mol×K	611.54	Joback Calculated Property
Cp,gas	424.63	J/mol×K	646.59	Joback Calculated Property
Cp,gas	438.42	J/mol×K	681.64	Joback Calculated Property
Cp,gas	451.37	J/mol×K	716.69	Joback Calculated Property
Cp,gas	463.49	J/mol×K	751.74	Joback Calculated Property
Cp,gas	474.82	J/mol×K	786.80	Joback Calculated Property
η	[0.0001725; 0.0029260]	Pa×s	[308.58; 576.49]
η	0.0029260	Pa×s	308.58	Joback Calculated Property
η	0.0013546	Pa×s	353.23	Joback Calculated Property
η	0.0007455	Pa×s	397.88	Joback Calculated Property
η	0.0004628	Pa×s	442.54	Joback Calculated Property
η	0.0003136	Pa×s	487.19	Joback Calculated Property
η	0.0002268	Pa×s	531.84	Joback Calculated Property
η	0.0001725	Pa×s	576.49	Joback Calculated Property

Similar Compounds

Find more compounds similar to Propanoic acid, 2-methyl-, 2-phenylethyl ester.

Sources

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

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