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

InChI

InChI=1S/C22H38O4/c1-3-4-5-6-7-9-13-19(2)26-22(24)17-12-16-21(23)25-18-20-14-10-8-11-15-20/h8,10,19-20H,3-7,9,11-18H2,1-2H3

InChI Key

PKTUCXFZABVSON-UHFFFAOYSA-N

Formula

C22H38O4

SMILES

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

Molecular Weight¹

366.53

• 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	0.9283		Relay (1.0) Calculated Property
ΔfG°	-281.51	kJ/mol	Joback Calculated Property
ΔfH°gas	-1000.22	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	47.84	kJ/mol	Joback Calculated Property
ΔvapH°	104.85	kJ/mol	Relay (1.0) Calculated Property
IE	8.87	eV	Relay (1.0) Calculated Property
log10WS	-5.09		Relay (1.0) Calculated Property
logPoct/wat	5.739		Crippen Calculated Property
McVol	320.560	ml/mol	McGowan Calculated Property
Pc	1119.30	kPa	Joback Calculated Property
Inp	[2551.00; 2551.00]
Inp	2551.00		NIST
Inp	2551.00		NIST
Tboil	651.69	K	Relay (1.0) Calculated Property
Tc	824.14	K	Relay (1.0) Calculated Property
Tfus	269.98	K	Relay (1.0) Calculated Property
Vc	1.180	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1060.87; 1152.00]	J/mol×K	[873.61; 1074.57]
Cp,gas	1060.87	J/mol×K	873.61	Joback Calculated Property
Cp,gas	1079.40	J/mol×K	907.10	Joback Calculated Property
Cp,gas	1096.55	J/mol×K	940.60	Joback Calculated Property
Cp,gas	1112.36	J/mol×K	974.09	Joback Calculated Property
Cp,gas	1126.85	J/mol×K	1007.58	Joback Calculated Property
Cp,gas	1140.05	J/mol×K	1041.08	Joback Calculated Property
Cp,gas	1152.00	J/mol×K	1074.57	Joback Calculated Property
η	[0.0000406; 0.0008638]	Pa×s	[475.16; 873.61]
η	0.0008638	Pa×s	475.16	Joback Calculated Property
η	0.0003797	Pa×s	541.57	Joback Calculated Property
η	0.0001997	Pa×s	607.98	Joback Calculated Property
η	0.0001193	Pa×s	674.38	Joback Calculated Property
η	0.0000781	Pa×s	740.79	Joback Calculated Property
η	0.0000548	Pa×s	807.20	Joback Calculated Property
η	0.0000406	Pa×s	873.61	Joback Calculated Property

Similar Compounds

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

Sources

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

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