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

• 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_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
ω	0.5552		Relay (1.0) Calculated Property
ΔfH°gas	-428.84	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.38	kJ/mol	Joback Calculated Property
ΔvapH°	78.51	kJ/mol	Relay (1.0) Calculated Property
IE	8.77	eV	Relay (1.0) Calculated Property
log10WS	-3.59		Relay (1.0) Calculated Property
logPoct/wat	3.207		Crippen Calculated Property
McVol	191.800	ml/mol	McGowan Calculated Property
Pc	2047.46	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	536.70	K	Relay (1.0) Calculated Property
Tc	740.42	K	Relay (1.0) Calculated Property
Tfus	243.07	K	Relay (1.0) Calculated Property
Vc	0.690	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	[488.99; 578.45]	J/mol×K	[603.94; 809.63]
Cp,gas	488.99	J/mol×K	603.94	Joback Calculated Property
Cp,gas	506.42	J/mol×K	638.22	Joback Calculated Property
Cp,gas	522.80	J/mol×K	672.50	Joback Calculated Property
Cp,gas	538.16	J/mol×K	706.79	Joback Calculated Property
Cp,gas	552.54	J/mol×K	741.07	Joback Calculated Property
Cp,gas	565.96	J/mol×K	775.35	Joback Calculated Property
Cp,gas	578.45	J/mol×K	809.63	Joback Calculated Property
η	[0.0001198; 0.0059711]	Pa×s	[286.29; 603.94]
η	0.0059711	Pa×s	286.29	Joback Calculated Property
η	0.0018724	Pa×s	339.23	Joback Calculated Property
η	0.0008030	Pa×s	392.17	Joback Calculated Property
η	0.0004212	Pa×s	445.12	Joback Calculated Property
η	0.0002534	Pa×s	498.06	Joback Calculated Property
η	0.0001681	Pa×s	551.00	Joback Calculated Property
η	0.0001198	Pa×s	603.94	Joback Calculated Property

Similar Compounds

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

Sources

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

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