Chemical Properties of Decanoic acid, 2-phenylethyl ester (CAS 61810-55-7)

InChI

InChI=1S/C18H28O2/c1-2-3-4-5-6-7-11-14-18(19)20-16-15-17-12-9-8-10-13-17/h8-10,12-13H,2-7,11,14-16H2,1H3

InChI Key

DDMQLUJPAGWJOB-UHFFFAOYSA-N

Formula

C18H28O2

SMILES

CCCCCCCCCC(=O)OCCc1ccccc1

Molecular Weight¹

276.41

CAS

61810-55-7

Other Names

• 2-Phenylethyl decanoate
• Phenylethyl n-decanoate
• phenethyl decanoate

• 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 : 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	0.8294		Relay (1.0) Calculated Property
ΔfG°	-97.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-481.85	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.79	kJ/mol	Joback Calculated Property
ΔvapH°	91.95	kJ/mol	Relay (1.0) Calculated Property
IE	8.75	eV	Relay (1.0) Calculated Property
log10WS	-5.41		Relay (1.0) Calculated Property
logPoct/wat	4.913		Crippen Calculated Property
McVol	248.160	ml/mol	McGowan Calculated Property
Pc	1467.98	kPa	Joback Calculated Property
Inp	[2012.00; 2060.20]
Inp	2012.00		NIST
Inp	2060.20		NIST
Inp	2022.00		NIST
Inp	2022.00		NIST
Inp	2053.00		NIST
Inp	2053.00		NIST
Inp	2022.00		NIST
Inp	2012.00		NIST
I	2540.00		NIST
Tboil	607.77	K	Relay (1.0) Calculated Property
Tc	804.62	K	Relay (1.0) Calculated Property
Tfus	267.43	K	Relay (1.0) Calculated Property
Vc	0.941	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[703.68; 797.06]	J/mol×K	[696.34; 886.12]
Cp,gas	703.68	J/mol×K	696.34	Joback Calculated Property
Cp,gas	721.73	J/mol×K	727.97	Joback Calculated Property
Cp,gas	738.73	J/mol×K	759.60	Joback Calculated Property
Cp,gas	754.74	J/mol×K	791.23	Joback Calculated Property
Cp,gas	769.77	J/mol×K	822.86	Joback Calculated Property
Cp,gas	783.87	J/mol×K	854.49	Joback Calculated Property
Cp,gas	797.06	J/mol×K	886.12	Joback Calculated Property
η	[0.0000856; 0.0021702]	Pa×s	[361.37; 696.34]
η	0.0021702	Pa×s	361.37	Joback Calculated Property
η	0.0008830	Pa×s	417.20	Joback Calculated Property
η	0.0004442	Pa×s	473.03	Joback Calculated Property
η	0.0002584	Pa×s	528.86	Joback Calculated Property
η	0.0001666	Pa×s	584.68	Joback Calculated Property
η	0.0001160	Pa×s	640.51	Joback Calculated Property
η	0.0000856	Pa×s	696.34	Joback Calculated Property

Similar Compounds

Find more compounds similar to Decanoic acid, 2-phenylethyl ester.

Sources

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

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