Chemical Properties of Succinic acid, cyclohexylmethyl 2,6-dimethylnon-1-en-3-yn-5-yl ester

InChI

InChI=1S/C22H34O4/c1-5-9-18(4)20(13-12-17(2)3)26-22(24)15-14-21(23)25-16-19-10-7-6-8-11-19/h18-20H,2,5-11,14-16H2,1,3-4H3

InChI Key

XOEUXNRCLOQVMP-UHFFFAOYSA-N

Formula

C22H34O4

SMILES

C=C(C)C#CC(OC(=O)CCC(=O)OCC1CCCCC1)C(C)CCC

Molecular Weight¹

362.50

• 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°	-31.82	kJ/mol	Joback Calculated Property
ΔfH°gas	-555.31	kJ/mol	Joback Calculated Property
ΔfusH°	43.63	kJ/mol	Joback Calculated Property
ΔvapH°	84.09	kJ/mol	Joback Calculated Property
log10WS	-5.93		Crippen Calculated Property
logPoct/wat	4.818		Crippen Calculated Property
McVol	311.960	ml/mol	McGowan Calculated Property
Pc	1266.45	kPa	Joback Calculated Property
Inp	[2408.00; 2408.00]
Inp	2408.00		NIST
Inp	2408.00		NIST
Tboil	879.57	K	Joback Calculated Property
Tc	1094.28	K	Joback Calculated Property
Tfus	549.78	K	Joback Calculated Property
Vc	1.181	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1009.74; 1098.26]	J/mol×K	[879.57; 1094.28]
Cp,gas	1009.74	J/mol×K	879.57	Joback Calculated Property
Cp,gas	1028.08	J/mol×K	915.36	Joback Calculated Property
Cp,gas	1044.93	J/mol×K	951.14	Joback Calculated Property
Cp,gas	1060.34	J/mol×K	986.93	Joback Calculated Property
Cp,gas	1074.34	J/mol×K	1022.71	Joback Calculated Property
Cp,gas	1086.97	J/mol×K	1058.50	Joback Calculated Property
Cp,gas	1098.26	J/mol×K	1094.28	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, cyclohexylmethyl 2,6-dimethylnon-1-en-3-yn-5-yl ester.

Sources

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

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