Chemical Properties of Glutaric acid, myrtenyl 1,1,1-trifluoroprop-2-yl ester

InChI

InChI=1S/C18H25F3O4/c1-11(18(19,20)21)25-16(23)6-4-5-15(22)24-10-12-7-8-13-9-14(12)17(13,2)3/h7,11,13-14H,4-6,8-10H2,1-3H3

InChI Key

KDPBABZVCVHWMJ-UHFFFAOYSA-N

Formula

C18H25F3O4

SMILES

CC(OC(=O)CCCC(=O)OCC1=CCC2CC1C2(C)C)C(F)(F)F

Molecular Weight¹

362.38

• 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	0.7037		Relay (1.0) Calculated Property
ΔfG°	-834.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-1456.46	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.03	kJ/mol	Joback Calculated Property
ΔvapH°	86.55	kJ/mol	Relay (1.0) Calculated Property
IE	9.00	eV	Relay (1.0) Calculated Property
log10WS	-4.27		Relay (1.0) Calculated Property
logPoct/wat	4.186		Crippen Calculated Property
McVol	258.650	ml/mol	McGowan Calculated Property
Pc	1430.46	kPa	Joback Calculated Property
Inp	[1887.00; 1887.00]
Inp	1887.00		NIST
Inp	1887.00		NIST
Tboil	587.93	K	Relay (1.0) Calculated Property
Tc	802.42	K	Relay (1.0) Calculated Property
Tfus	340.81	K	Relay (1.0) Calculated Property
Vc	0.926	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[818.56; 912.66]	J/mol×K	[775.42; 968.61]
Cp,gas	818.56	J/mol×K	775.42	Joback Calculated Property
Cp,gas	835.43	J/mol×K	807.62	Joback Calculated Property
Cp,gas	851.66	J/mol×K	839.82	Joback Calculated Property
Cp,gas	867.39	J/mol×K	872.01	Joback Calculated Property
Cp,gas	882.72	J/mol×K	904.21	Joback Calculated Property
Cp,gas	897.77	J/mol×K	936.41	Joback Calculated Property
Cp,gas	912.66	J/mol×K	968.61	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, myrtenyl 1,1,1-trifluoroprop-2-yl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.