Chemical Properties of 3-Phenylpropionic acid, 2-isopropoxyphenyl ester

InChI

InChI=1S/C18H20O3/c1-14(2)20-16-10-6-7-11-17(16)21-18(19)13-12-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3

InChI Key

FMOBBROVBXLZKT-UHFFFAOYSA-N

Formula

C18H20O3

SMILES

CC(C)Oc1ccccc1OC(=O)CCc1ccccc1

Molecular Weight¹

284.35

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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_np : Non-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
ΔfusH°	32.10	kJ/mol	Joback Calculated Property
ΔvapH°	92.50	kJ/mol	Relay (1.0) Calculated Property
IE	8.12	eV	Relay (1.0) Calculated Property
log10WS	-3.90		Relay (1.0) Calculated Property
logPoct/wat	4.012		Crippen Calculated Property
McVol	230.270	ml/mol	McGowan Calculated Property
Pc	1885.44	kPa	Joback Calculated Property
Inp	[2083.00; 2083.00]
Inp	2083.00		NIST
Inp	2083.00		NIST
Tboil	615.99	K	Relay (1.0) Calculated Property
Tfus	315.60	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, 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	[648.84; 728.87]	J/mol×K	[749.98; 975.19]
Cp,gas	648.84	J/mol×K	749.98	Joback Calculated Property
Cp,gas	665.39	J/mol×K	787.51	Joback Calculated Property
Cp,gas	680.60	J/mol×K	825.05	Joback Calculated Property
Cp,gas	694.52	J/mol×K	862.58	Joback Calculated Property
Cp,gas	707.18	J/mol×K	900.12	Joback Calculated Property
Cp,gas	718.62	J/mol×K	937.65	Joback Calculated Property
Cp,gas	728.87	J/mol×K	975.19	Joback Calculated Property
η	[0.0000608; 0.0010837]	Pa×s	[407.54; 749.98]
η	0.0010837	Pa×s	407.54	Joback Calculated Property
η	0.0004994	Pa×s	464.61	Joback Calculated Property
η	0.0002726	Pa×s	521.69	Joback Calculated Property
η	0.0001677	Pa×s	578.76	Joback Calculated Property
η	0.0001126	Pa×s	635.83	Joback Calculated Property
η	0.0000807	Pa×s	692.91	Joback Calculated Property
η	0.0000608	Pa×s	749.98	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Phenylpropionic acid, 2-isopropoxyphenyl ester.

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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