Chemical Properties of Butyric acid, 4-phenyl-, oct-3-en-2-yl ester

InChI

InChI=1S/C18H26O2/c1-3-4-5-7-11-16(2)20-18(19)15-10-14-17-12-8-6-9-13-17/h6-9,11-13,16H,3-5,10,14-15H2,1-2H3/b11-7+

InChI Key

PRMJJYPTAPQRAC-YRNVUSSQSA-N

Formula

C18H26O2

SMILES

CCCCC=CC(C)OC(=O)CCCc1ccccc1

Molecular Weight¹

274.40

• ω : Acentric Factor.
• 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).
• 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_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
ω	0.6787		Relay (1.0) Calculated Property
ΔfG°	56.95	kJ/mol	Joback Calculated Property
ΔfH°gas	-438.44	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	35.88	kJ/mol	Joback Calculated Property
ΔvapH°	86.64	kJ/mol	Relay (1.0) Calculated Property
IE	8.59	eV	Relay (1.0) Calculated Property
log10WS	-4.80		Relay (1.0) Calculated Property
logPoct/wat	4.687		Crippen Calculated Property
McVol	243.860	ml/mol	McGowan Calculated Property
Pc	1588.54	kPa	Joback Calculated Property
Inp	[1985.00; 1985.00]
Inp	1985.00		NIST
Inp	1985.00		NIST
Tboil	577.98	K	Relay (1.0) Calculated Property
Tc	782.88	K	Relay (1.0) Calculated Property
Tfus	259.73	K	Relay (1.0) Calculated Property
Vc	0.884	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[688.28; 779.12]	J/mol×K	[717.93; 918.97]
Cp,gas	688.28	J/mol×K	717.93	Joback Calculated Property
Cp,gas	705.89	J/mol×K	751.44	Joback Calculated Property
Cp,gas	722.44	J/mol×K	784.94	Joback Calculated Property
Cp,gas	737.99	J/mol×K	818.45	Joback Calculated Property
Cp,gas	752.59	J/mol×K	851.95	Joback Calculated Property
Cp,gas	766.29	J/mol×K	885.46	Joback Calculated Property
Cp,gas	779.12	J/mol×K	918.97	Joback Calculated Property
η	[0.0000765; 0.0017879]	Pa×s	[371.12; 717.93]
η	0.0017879	Pa×s	371.12	Joback Calculated Property
η	0.0007422	Pa×s	428.92	Joback Calculated Property
η	0.0003797	Pa×s	486.72	Joback Calculated Property
η	0.0002239	Pa×s	544.52	Joback Calculated Property
η	0.0001462	Pa×s	602.33	Joback Calculated Property
η	0.0001028	Pa×s	660.13	Joback Calculated Property
η	0.0000765	Pa×s	717.93	Joback Calculated Property

Similar Compounds

Find more compounds similar to Butyric acid, 4-phenyl-, oct-3-en-2-yl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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