Chemical Properties of Glutaric acid, (cyclohex-3-enyl)methyl hept-2-yl ester

InChI

InChI=1S/C19H32O4/c1-3-4-6-10-16(2)23-19(21)14-9-13-18(20)22-15-17-11-7-5-8-12-17/h5,7,16-17H,3-4,6,8-15H2,1-2H3

InChI Key

LVPXKBAQURPTDU-UHFFFAOYSA-N

Formula

C19H32O4

SMILES

CCCCCC(C)OC(=O)CCCC(=O)OCC1CC=CCC1

Molecular Weight¹

324.45

• 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.
• 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	0.8168		Relay (1.0) Calculated Property
ΔfG°	-306.77	kJ/mol	Joback Calculated Property
ΔfH°gas	-939.38	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.07	kJ/mol	Joback Calculated Property
ΔvapH°	94.18	kJ/mol	Relay (1.0) Calculated Property
IE	8.84	eV	Relay (1.0) Calculated Property
log10WS	-4.11		Relay (1.0) Calculated Property
logPoct/wat	4.568		Crippen Calculated Property
McVol	278.290	ml/mol	McGowan Calculated Property
Pc	1370.73	kPa	Joback Calculated Property
Inp	[2244.00; 2244.00]
Inp	2244.00		NIST
Inp	2244.00		NIST
Tboil	629.10	K	Relay (1.0) Calculated Property
Tc	796.53	K	Relay (1.0) Calculated Property
Tfus	257.60	K	Relay (1.0) Calculated Property
Vc	1.018	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[878.89; 969.88]	J/mol×K	[804.97; 1002.75]
Cp,gas	878.89	J/mol×K	804.97	Joback Calculated Property
Cp,gas	897.08	J/mol×K	837.93	Joback Calculated Property
Cp,gas	914.03	J/mol×K	870.90	Joback Calculated Property
Cp,gas	929.76	J/mol×K	903.86	Joback Calculated Property
Cp,gas	944.30	J/mol×K	936.82	Joback Calculated Property
Cp,gas	957.67	J/mol×K	969.79	Joback Calculated Property
Cp,gas	969.88	J/mol×K	1002.75	Joback Calculated Property
η	[0.0000628; 0.0012239]	Pa×s	[441.35; 804.97]
η	0.0012239	Pa×s	441.35	Joback Calculated Property
η	0.0005533	Pa×s	501.95	Joback Calculated Property
η	0.0002968	Pa×s	562.56	Joback Calculated Property
η	0.0001797	Pa×s	623.16	Joback Calculated Property
η	0.0001189	Pa×s	683.76	Joback Calculated Property
η	0.0000842	Pa×s	744.37	Joback Calculated Property
η	0.0000628	Pa×s	804.97	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, (cyclohex-3-enyl)methyl hept-2-yl ester.

Sources

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

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