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

InChI

InChI=1S/C15H22O2/c1-12(2)9-10-15(11-17-13(3)16)14-7-5-4-6-8-14/h4-8,12,15H,9-11H2,1-3H3

InChI Key

SAVIONGKZKDADE-UHFFFAOYSA-N

Formula

C15H22O2

SMILES

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

Molecular Weight¹

234.33

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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 : 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	0.5745		Relay (1.0) Calculated Property
ΔfH°gas	-431.54	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.97	kJ/mol	Joback Calculated Property
ΔvapH°	80.03	kJ/mol	Relay (1.0) Calculated Property
IE	8.60	eV	Relay (1.0) Calculated Property
log10WS	-4.16		Relay (1.0) Calculated Property
logPoct/wat	3.769		Crippen Calculated Property
McVol	205.890	ml/mol	McGowan Calculated Property
Pc	1880.53	kPa	Joback Calculated Property
I	[2029.00; 2029.00]
I	2029.00		NIST
I	2029.00		NIST
Tboil	566.42	K	Relay (1.0) Calculated Property
Tc	765.40	K	Relay (1.0) Calculated Property
Tfus	261.69	K	Relay (1.0) Calculated Property
Vc	0.735	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[540.93; 632.53]	J/mol×K	[626.82; 829.51]
Cp,gas	540.93	J/mol×K	626.82	Joback Calculated Property
Cp,gas	558.77	J/mol×K	660.60	Joback Calculated Property
Cp,gas	575.53	J/mol×K	694.38	Joback Calculated Property
Cp,gas	591.26	J/mol×K	728.17	Joback Calculated Property
Cp,gas	605.98	J/mol×K	761.95	Joback Calculated Property
Cp,gas	619.73	J/mol×K	795.73	Joback Calculated Property
Cp,gas	632.53	J/mol×K	829.51	Joback Calculated Property
η	[0.0001068; 0.0053906]	Pa×s	[297.56; 626.82]
η	0.0053906	Pa×s	297.56	Joback Calculated Property
η	0.0016856	Pa×s	352.44	Joback Calculated Property
η	0.0007210	Pa×s	407.31	Joback Calculated Property
η	0.0003773	Pa×s	462.19	Joback Calculated Property
η	0.0002265	Pa×s	517.07	Joback Calculated Property
η	0.0001500	Pa×s	571.94	Joback Calculated Property
η	0.0001068	Pa×s	626.82	Joback Calculated Property

Similar Compounds

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

Sources

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

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