Chemical Properties of Glutaric acid, hexadecyl 1-(pentafluorophenyl)ethyl ester

InChI

InChI=1S/C29H43F5O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-37-22(35)18-17-19-23(36)38-21(2)24-25(30)27(32)29(34)28(33)26(24)31/h21H,3-20H2,1-2H3

InChI Key

NDKVNOYRJFGCDP-UHFFFAOYSA-N

Formula

C29H43F5O4

SMILES

CCCCCCCCCCCCCCCCOC(=O)CCCC(=O)OC(C)c1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

550.64

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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	1.3195		Relay (1.0) Calculated Property
ΔfG°	-1186.77	kJ/mol	Joback Calculated Property
ΔfH°gas	-1829.50	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	80.41	kJ/mol	Joback Calculated Property
ΔvapH°	131.66	kJ/mol	Relay (1.0) Calculated Property
IE	9.36	eV	Relay (1.0) Calculated Property
log10WS	-9.27		Relay (1.0) Calculated Property
logPoct/wat	9.181		Crippen Calculated Property
McVol	419.440	ml/mol	McGowan Calculated Property
Pc	667.35	kPa	Joback Calculated Property
Inp	[3112.00; 3112.00]
Inp	3112.00		NIST
Inp	3112.00		NIST
Tboil	681.05	K	Relay (1.0) Calculated Property
Tc	852.42	K	Relay (1.0) Calculated Property
Tfus	334.47	K	Relay (1.0) Calculated Property
Vc	1.583	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1462.66; 1536.42]	J/mol×K	[1062.99; 1339.90]
Cp,gas	1462.66	J/mol×K	1062.99	Joback Calculated Property
Cp,gas	1481.37	J/mol×K	1109.14	Joback Calculated Property
Cp,gas	1497.41	J/mol×K	1155.29	Joback Calculated Property
Cp,gas	1510.85	J/mol×K	1201.44	Joback Calculated Property
Cp,gas	1521.78	J/mol×K	1247.60	Joback Calculated Property
Cp,gas	1530.28	J/mol×K	1293.75	Joback Calculated Property
Cp,gas	1536.42	J/mol×K	1339.90	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, hexadecyl 1-(pentafluorophenyl)ethyl ester.

Sources

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

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