Chemical Properties of Phenethyl tetradecanoate (CAS 72934-11-3)

InChI

InChI=1S/C22H36O2/c1-2-3-4-5-6-7-8-9-10-11-15-18-22(23)24-20-19-21-16-13-12-14-17-21/h12-14,16-17H,2-11,15,18-20H2,1H3

InChI Key

BZEXDSGQQMPNNS-UHFFFAOYSA-N

Formula

C22H36O2

SMILES

CCCCCCCCCCCCCC(=O)OCCc1ccccc1

Molecular Weight¹

332.52

CAS

72934-11-3

• 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	0.9760		Relay (1.0) Calculated Property
ΔfG°	-63.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-567.92	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	51.15	kJ/mol	Joback Calculated Property
ΔvapH°	109.22	kJ/mol	Relay (1.0) Calculated Property
IE	8.91	eV	Relay (1.0) Calculated Property
log10WS	-6.59		Relay (1.0) Calculated Property
logPoct/wat	6.473		Crippen Calculated Property
McVol	304.520	ml/mol	McGowan Calculated Property
Pc	1115.57	kPa	Joback Calculated Property
Inp	[2485.60; 2485.60]
Inp	2485.60		NIST
Inp	2485.60		NIST
Tboil	636.43	K	Relay (1.0) Calculated Property
Tc	837.03	K	Relay (1.0) Calculated Property
Tfus	286.66	K	Relay (1.0) Calculated Property
Vc	1.161	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[431.27; 1043.91]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-2.56060e+01
Coefficient B			1.96012e+00
Coefficient C			-1.10960e-03
Coefficient D			2.19000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	431.27	J/mol×K	273.00	Calculated Property
Cp,gas	538.66	J/mol×K	353.78	Calculated Property
Cp,gas	634.61	J/mol×K	434.56	Calculated Property
Cp,gas	719.81	J/mol×K	515.33	Calculated Property
Cp,gas	794.94	J/mol×K	596.11	Calculated Property
Cp,gas	860.70	J/mol×K	676.89	Calculated Property
Cp,gas	917.79	J/mol×K	757.67	Calculated Property
Cp,gas	966.89	J/mol×K	838.44	Calculated Property
Cp,gas	1008.70	J/mol×K	919.22	Calculated Property
Cp,gas	1043.91	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014119; 0.0000860]	Pa×s	[406.45; 683.63]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.34643e+01
Coefficient B			2.80510e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			406.45
Temperature range, max.			683.63
η	0.0014119	Pa×s	406.45	Calculated Property
η	0.0008683	Pa×s	437.25	Calculated Property
η	0.0005693	Pa×s	468.05	Calculated Property
η	0.0003932	Pa×s	498.84	Calculated Property
η	0.0002836	Pa×s	529.64	Calculated Property
η	0.0002120	Pa×s	560.44	Calculated Property
η	0.0001633	Pa×s	591.24	Calculated Property
η	0.0001291	Pa×s	622.03	Calculated Property
η	0.0001044	Pa×s	652.83	Calculated Property
η	0.0000860	Pa×s	683.63	Calculated Property

Similar Compounds

Find more compounds similar to Phenethyl tetradecanoate.

Sources

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

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