Chemical Properties of Butyric acid, 2-phenyl-, 3-methylphenyl ester

InChI

InChI=1S/C17H18O2/c1-3-16(14-9-5-4-6-10-14)17(18)19-15-11-7-8-13(2)12-15/h4-12,16H,3H2,1-2H3

InChI Key

GIRKRCYXBLTILP-UHFFFAOYSA-N

Formula

C17H18O2

SMILES

CCC(C(=O)Oc1cccc(C)c1)c1ccccc1

Molecular Weight¹

254.33

• 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).
• 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.
• 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°	28.32	kJ/mol	Joback Calculated Property
IE	8.12	eV	Relay (1.0) Calculated Property
log10WS	-4.42		Relay (1.0) Calculated Property
logPoct/wat	4.094		Crippen Calculated Property
McVol	210.310	ml/mol	McGowan Calculated Property
Inp	[1966.00; 1966.00]
Inp	1966.00		NIST
Inp	1966.00		NIST
Tboil	602.74	K	Relay (1.0) Calculated Property
Tfus	322.37	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization 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	[566.96; 649.60]	J/mol×K	[704.68; 936.84]
Cp,gas	566.96	J/mol×K	704.68	Joback Calculated Property
Cp,gas	583.91	J/mol×K	743.37	Joback Calculated Property
Cp,gas	599.51	J/mol×K	782.07	Joback Calculated Property
Cp,gas	613.83	J/mol×K	820.76	Joback Calculated Property
Cp,gas	626.91	J/mol×K	859.45	Joback Calculated Property
Cp,gas	638.82	J/mol×K	898.15	Joback Calculated Property
Cp,gas	649.60	J/mol×K	936.84	Joback Calculated Property
η	[0.0000896; 0.0017170]	Pa×s	[374.04; 704.68]
η	0.0017170	Pa×s	374.04	Joback Calculated Property
η	0.0007652	Pa×s	429.15	Joback Calculated Property
η	0.0004099	Pa×s	484.25	Joback Calculated Property
η	0.0002494	Pa×s	539.36	Joback Calculated Property
η	0.0001664	Pa×s	594.47	Joback Calculated Property
η	0.0001189	Pa×s	649.57	Joback Calculated Property
η	0.0000896	Pa×s	704.68	Joback Calculated Property

Similar Compounds

Find more compounds similar to Butyric acid, 2-phenyl-, 3-methylphenyl ester.

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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