Chemical Properties of 5- METHYL-2- PHENYL-2- HEXENYL-1 ACETATE

InChI

InChI=1S/C15H20O2/c1-12(2)9-10-15(11-17-13(3)16)14-7-5-4-6-8-14/h4-8,10,12H,9,11H2,1-3H3/b15-10-

InChI Key

FESCLSSFJJRTFQ-GDNBJRDFSA-N

Formula

C15H20O2

SMILES

CC(=O)OCC(=CCC(C)C)c1ccccc1

Molecular Weight¹

232.32

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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 : 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
ΔfG°	23.14	kJ/mol	Joback Calculated Property
ΔfH°gas	-259.05	kJ/mol	Joback Calculated Property
ΔfusH°	26.80	kJ/mol	Joback Calculated Property
ΔvapH°	60.07	kJ/mol	Joback Calculated Property
log10WS	-3.85		Crippen Calculated Property
logPoct/wat	3.679		Crippen Calculated Property
McVol	201.590	ml/mol	McGowan Calculated Property
Pc	2036.39	kPa	Joback Calculated Property
I	[2025.00; 2025.00]
I	2025.00		NIST
I	2025.00		NIST
Tboil	649.17	K	Joback Calculated Property
Tc	861.36	K	Joback Calculated Property
Tfus	323.35	K	Joback Calculated Property
Vc	0.766	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[525.18; 611.72]	J/mol×K	[649.17; 861.36]
Cp,gas	525.18	J/mol×K	649.17	Joback Calculated Property
Cp,gas	542.06	J/mol×K	684.54	Joback Calculated Property
Cp,gas	557.90	J/mol×K	719.90	Joback Calculated Property
Cp,gas	572.73	J/mol×K	755.27	Joback Calculated Property
Cp,gas	586.62	J/mol×K	790.63	Joback Calculated Property
Cp,gas	599.60	J/mol×K	826.00	Joback Calculated Property
Cp,gas	611.72	J/mol×K	861.36	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5- METHYL-2- PHENYL-2- HEXENYL-1 ACETATE.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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