Chemical Properties of 2-Pentanol, 4-methyl-1-phenyl, acetate

InChI

InChI=1S/C14H20O2/c1-11(2)9-14(16-12(3)15)10-13-7-5-4-6-8-13/h4-8,11,14H,9-10H2,1-3H3

InChI Key

PNFCKPDFDXAHTA-UHFFFAOYSA-N

Formula

C14H20O2

SMILES

CC(=O)OC(Cc1ccccc1)CC(C)C

Molecular Weight¹

220.31

• 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).
• 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.
• 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°	-59.39	kJ/mol	Joback Calculated Property
ΔfH°gas	-351.12	kJ/mol	Joback Calculated Property
ΔfusH°	21.80	kJ/mol	Joback Calculated Property
ΔvapH°	57.41	kJ/mol	Joback Calculated Property
log10WS	-3.52		Crippen Calculated Property
logPoct/wat	3.207		Crippen Calculated Property
McVol	191.800	ml/mol	McGowan Calculated Property
Pc	2125.60	kPa	Joback Calculated Property
Inp	[1459.00; 1459.00]
Inp	1459.00		NIST
Inp	1459.00		NIST
I	[1943.00; 1943.00]
I	1943.00		NIST
I	1943.00		NIST
Tboil	621.81	K	Joback Calculated Property
Tc	829.67	K	Joback Calculated Property
Tfus	316.12	K	Joback Calculated Property
Vc	0.724	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[494.97; 582.89]	J/mol×K	[621.81; 829.67]
Cp,gas	494.97	J/mol×K	621.81	Joback Calculated Property
Cp,gas	512.03	J/mol×K	656.45	Joback Calculated Property
Cp,gas	528.09	J/mol×K	691.10	Joback Calculated Property
Cp,gas	543.18	J/mol×K	725.74	Joback Calculated Property
Cp,gas	557.32	J/mol×K	760.38	Joback Calculated Property
Cp,gas	570.55	J/mol×K	795.03	Joback Calculated Property
Cp,gas	582.89	J/mol×K	829.67	Joback Calculated Property
η	[0.0001317; 0.0034830]	Pa×s	[316.12; 621.81]
η	0.0034830	Pa×s	316.12	Joback Calculated Property
η	0.0013815	Pa×s	367.07	Joback Calculated Property
η	0.0006866	Pa×s	418.02	Joback Calculated Property
η	0.0003972	Pa×s	468.96	Joback Calculated Property
η	0.0002558	Pa×s	519.91	Joback Calculated Property
η	0.0001782	Pa×s	570.86	Joback Calculated Property
η	0.0001317	Pa×s	621.81	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Pentanol, 4-methyl-1-phenyl, acetate.

Sources

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

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