Chemical Properties of Glutaric acid, cyclohexylmethyl 3-fluorophenyl ester

InChI

InChI=1S/C18H23FO4/c19-15-8-4-9-16(12-15)23-18(21)11-5-10-17(20)22-13-14-6-2-1-3-7-14/h4,8-9,12,14H,1-3,5-7,10-11,13H2

InChI Key

ISSADMMOLBCSJU-UHFFFAOYSA-N

Formula

C18H23FO4

SMILES

O=C(CCCC(=O)Oc1cccc(F)c1)OCC1CCCCC1

Molecular Weight¹

322.37

• 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).
• 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
ΔfG°	-434.74	kJ/mol	Joback Calculated Property
ΔfH°gas	-821.18	kJ/mol	Joback Calculated Property
ΔfusH°	36.52	kJ/mol	Joback Calculated Property
ΔvapH°	76.52	kJ/mol	Joback Calculated Property
log10WS	-4.82		Crippen Calculated Property
logPoct/wat	4.025		Crippen Calculated Property
McVol	246.510	ml/mol	McGowan Calculated Property
Pc	1768.38	kPa	Joback Calculated Property
Inp	[2338.00; 2338.00]
Inp	2338.00		NIST
Inp	2338.00		NIST
Tboil	814.30	K	Joback Calculated Property
Tc	1030.28	K	Joback Calculated Property
Tfus	483.85	K	Joback Calculated Property
Vc	0.934	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[763.35; 841.78]	J/mol×K	[814.30; 1030.28]
Cp,gas	763.35	J/mol×K	814.30	Joback Calculated Property
Cp,gas	779.74	J/mol×K	850.30	Joback Calculated Property
Cp,gas	794.77	J/mol×K	886.29	Joback Calculated Property
Cp,gas	808.46	J/mol×K	922.29	Joback Calculated Property
Cp,gas	820.84	J/mol×K	958.29	Joback Calculated Property
Cp,gas	831.94	J/mol×K	994.28	Joback Calculated Property
Cp,gas	841.78	J/mol×K	1030.28	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, cyclohexylmethyl 3-fluorophenyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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