Chemical Properties of Butyric acid, 2-phenyl-, 2-ethylhexyl ester

InChI

InChI=1S/C18H28O2/c1-4-7-11-15(5-2)14-20-18(19)17(6-3)16-12-9-8-10-13-16/h8-10,12-13,15,17H,4-7,11,14H2,1-3H3

InChI Key

PSYOOKKRCIYPNY-UHFFFAOYSA-N

Formula

C18H28O2

SMILES

CCCCC(CC)COC(=O)C(CC)c1ccccc1

Molecular Weight¹

276.41

• 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).
• 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°	33.74	kJ/mol	Joback Calculated Property
IE	8.58	eV	Relay (1.0) Calculated Property
log10WS	-5.10		Relay (1.0) Calculated Property
logPoct/wat	4.940		Crippen Calculated Property
McVol	248.160	ml/mol	McGowan Calculated Property
Pc	1486.14	kPa	Joback Calculated Property
Inp	[1840.00; 1840.00]
Inp	1840.00		NIST
Inp	1840.00		NIST
Tboil	590.52	K	Relay (1.0) Calculated Property
Tfus	245.83	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, 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	[704.60; 800.44]	J/mol×K	[695.46; 891.07]
Cp,gas	704.60	J/mol×K	695.46	Joback Calculated Property
Cp,gas	723.25	J/mol×K	728.06	Joback Calculated Property
Cp,gas	740.79	J/mol×K	760.66	Joback Calculated Property
Cp,gas	757.24	J/mol×K	793.26	Joback Calculated Property
Cp,gas	772.64	J/mol×K	825.87	Joback Calculated Property
Cp,gas	787.03	J/mol×K	858.47	Joback Calculated Property
Cp,gas	800.44	J/mol×K	891.07	Joback Calculated Property
η	[0.0000733; 0.0038324]	Pa×s	[331.37; 695.46]
η	0.0038324	Pa×s	331.37	Joback Calculated Property
η	0.0011899	Pa×s	392.05	Joback Calculated Property
η	0.0005055	Pa×s	452.73	Joback Calculated Property
η	0.0002629	Pa×s	513.41	Joback Calculated Property
η	0.0001570	Pa×s	574.10	Joback Calculated Property
η	0.0001035	Pa×s	634.78	Joback Calculated Property
η	0.0000733	Pa×s	695.46	Joback Calculated Property

Similar Compounds

Find more compounds similar to Butyric acid, 2-phenyl-, 2-ethylhexyl 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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