Chemical Properties of Glutaric acid, 2-norbornyl hex-4-yn-3-yl ester

InChI

InChI=1S/C18H26O4/c1-3-6-15(4-2)21-17(19)7-5-8-18(20)22-16-12-13-9-10-14(16)11-13/h13-16H,4-5,7-12H2,1-2H3

InChI Key

QIOXUKQQTORIAU-UHFFFAOYSA-N

Formula

C18H26O4

SMILES

CC#CC(CC)OC(=O)CCCC(=O)OC1CC2CCC1C2

Molecular Weight¹

306.40

• 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	0.6801		Relay (... Calculated Property
ΔfG°	-65.11	kJ/mol	Joback Calculated Property
ΔfH°gas	-712.10	kJ/mol	Relay (... Calculated Property
ΔfusH°	42.79	kJ/mol	Joback Calculated Property
ΔvapH°	93.65	kJ/mol	Relay (... Calculated Property
IE	9.11	eV	Relay (... Calculated Property
log10WS	-4.14		Relay (... Calculated Property
logPoct/wat	3.234		Crippen Calculated Property
McVol	249.040	ml/mol	McGowan Calculated Property
Pc	1687.95	kPa	Joback Calculated Property
Inp	[2171.00; 2171.00]
Inp	2171.00		NIST
Inp	2171.00		NIST
Tboil	612.79	K	Relay (... Calculated Property
Tc	839.37	K	Relay (... Calculated Property
Tfus	352.41	K	Relay (... Calculated Property
Vc	0.901	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[777.74; 869.58]	J/mol×K	[785.46; 997.81]
Cp,gas	777.74	J/mol×K	785.46	Joback Calculated Property
Cp,gas	795.80	J/mol×K	820.85	Joback Calculated Property
Cp,gas	812.69	J/mol×K	856.24	Joback Calculated Property
Cp,gas	828.46	J/mol×K	891.63	Joback Calculated Property
Cp,gas	843.16	J/mol×K	927.02	Joback Calculated Property
Cp,gas	856.85	J/mol×K	962.41	Joback Calculated Property
Cp,gas	869.58	J/mol×K	997.81	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-norbornyl hex-4-yn-3-yl ester.

Sources

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

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