Chemical Properties of Decanoic acid, phenylmethyl ester (CAS 42175-41-7)

InChI

InChI=1S/C17H26O2/c1-2-3-4-5-6-7-11-14-17(18)19-15-16-12-9-8-10-13-16/h8-10,12-13H,2-7,11,14-15H2,1H3

InChI Key

ZSAYVPCIKVBDRI-UHFFFAOYSA-N

Formula

C17H26O2

SMILES

CCCCCCCCCC(=O)OCc1ccccc1

Molecular Weight¹

262.39

CAS

42175-41-7

Other Names

• Benzyl decanoate
• Benzyl caprate

• 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.
• I_p : 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	0.7930		Relay (1.0) Calculated Property
ΔfG°	-105.70	kJ/mol	Joback Calculated Property
ΔfH°gas	-444.25	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.20	kJ/mol	Joback Calculated Property
ΔvapH°	83.33	kJ/mol	Relay (1.0) Calculated Property
IE	8.86	eV	Relay (1.0) Calculated Property
log10WS	-5.32		Relay (1.0) Calculated Property
logPoct/wat	4.870		Crippen Calculated Property
McVol	234.070	ml/mol	McGowan Calculated Property
Pc	1582.23	kPa	Joback Calculated Property
Inp	[1911.00; 1923.00]
Inp	1911.00		NIST
Inp	1923.00		NIST
Inp	1911.00		NIST
Ip	[2460.00; 2460.00]
Ip	2460.00		NIST
Ip	2460.00		NIST
Tboil	586.96	K	Relay (1.0) Calculated Property
Tc	793.11	K	Relay (1.0) Calculated Property
Tfus	266.64	K	Relay (1.0) Calculated Property
Vc	0.887	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[325.20; 785.96]	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			-2.10610e+01
Coefficient B			1.48512e+00
Coefficient C			-8.37600e-04
Coefficient D			1.59500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	325.20	J/mol×K	273.00	Calculated Property
Cp,gas	406.57	J/mol×K	353.78	Calculated Property
Cp,gas	479.22	J/mol×K	434.56	Calculated Property
Cp,gas	543.66	J/mol×K	515.33	Calculated Property
Cp,gas	600.38	J/mol×K	596.11	Calculated Property
Cp,gas	649.90	J/mol×K	676.89	Calculated Property
Cp,gas	692.71	J/mol×K	757.67	Calculated Property
Cp,gas	729.32	J/mol×K	838.44	Calculated Property
Cp,gas	760.23	J/mol×K	919.22	Calculated Property
Cp,gas	785.96	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0023848; 0.0001434]	Pa×s	[350.10; 605.30]	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			-1.27062e+01
Coefficient B			2.33430e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			350.10
Temperature range, max.			605.30
η	0.0023848	Pa×s	350.10	Calculated Property
η	0.0014471	Pa×s	378.46	Calculated Property
η	0.0009414	Pa×s	406.81	Calculated Property
η	0.0006477	Pa×s	435.17	Calculated Property
η	0.0004665	Pa×s	463.52	Calculated Property
η	0.0003490	Pa×s	491.88	Calculated Property
η	0.0002694	Pa×s	520.24	Calculated Property
η	0.0002137	Pa×s	548.59	Calculated Property
η	0.0001733	Pa×s	576.95	Calculated Property
η	0.0001434	Pa×s	605.30	Calculated Property

Similar Compounds

Find more compounds similar to Decanoic acid, phenylmethyl ester.

Sources

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

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