Chemical Properties of Butyric acid, 2-phenyl-, hept-2-yl ester

InChI

InChI=1S/C17H26O2/c1-4-6-8-11-14(3)19-17(18)16(5-2)15-12-9-7-10-13-15/h7,9-10,12-14,16H,4-6,8,11H2,1-3H3

InChI Key

HXWXGZBJIIXDSZ-UHFFFAOYSA-N

Formula

C17H26O2

SMILES

CCCCCC(C)OC(=O)C(CC)c1ccccc1

Molecular Weight¹

262.39

• 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).
• 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°	31.15	kJ/mol	Joback Calculated Property
ΔvapH°	79.02	kJ/mol	Relay (1.0) Calculated Property
IE	8.65	eV	Relay (1.0) Calculated Property
logPoct/wat	4.692		Crippen Calculated Property
McVol	234.070	ml/mol	McGowan Calculated Property
Pc	1602.56	kPa	Joback Calculated Property
Inp	[1716.00; 1716.00]
Inp	1716.00		NIST
Inp	1716.00		NIST
Tboil	562.88	K	Relay (1.0) Calculated Property
Tfus	266.93	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, Log10 of Water solubility in mol/l 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	[648.83; 743.55]	J/mol×K	[672.58; 870.19]
Cp,gas	648.83	J/mol×K	672.58	Joback Calculated Property
Cp,gas	667.26	J/mol×K	705.51	Joback Calculated Property
Cp,gas	684.59	J/mol×K	738.45	Joback Calculated Property
Cp,gas	700.85	J/mol×K	771.38	Joback Calculated Property
Cp,gas	716.07	J/mol×K	804.32	Joback Calculated Property
Cp,gas	730.30	J/mol×K	837.25	Joback Calculated Property
Cp,gas	743.55	J/mol×K	870.19	Joback Calculated Property
η	[0.0000835; 0.0043159]	Pa×s	[320.10; 672.58]
η	0.0043159	Pa×s	320.10	Joback Calculated Property
η	0.0013429	Pa×s	378.85	Joback Calculated Property
η	0.0005717	Pa×s	437.59	Joback Calculated Property
η	0.0002979	Pa×s	496.34	Joback Calculated Property
η	0.0001782	Pa×s	555.09	Joback Calculated Property
η	0.0001176	Pa×s	613.83	Joback Calculated Property
η	0.0000835	Pa×s	672.58	Joback Calculated Property

Similar Compounds

Find more compounds similar to Butyric acid, 2-phenyl-, hept-2-yl 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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