Chemical Properties of Succinic acid, cyclohexylmethyl 3-methylbut-3-en-1-yl ester

InChI

InChI=1S/C16H26O4/c1-13(2)10-11-19-15(17)8-9-16(18)20-12-14-6-4-3-5-7-14/h14H,1,3-12H2,2H3

InChI Key

KIKKVKOQTMTNTG-UHFFFAOYSA-N

Formula

C16H26O4

SMILES

C=C(C)CCOC(=O)CCC(=O)OCC1CCCCC1

Molecular Weight¹

282.38

• 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°	-280.26	kJ/mol	Joback Calculated Property
ΔfH°gas	-693.21	kJ/mol	Joback Calculated Property
ΔfusH°	32.01	kJ/mol	Joback Calculated Property
ΔvapH°	69.36	kJ/mol	Joback Calculated Property
log10WS	-3.75		Crippen Calculated Property
logPoct/wat	3.399		Crippen Calculated Property
McVol	236.020	ml/mol	McGowan Calculated Property
Pc	1721.73	kPa	Joback Calculated Property
Inp	[2017.00; 2017.00]
Inp	2017.00		NIST
Inp	2017.00		NIST
Tboil	734.17	K	Joback Calculated Property
Tc	935.57	K	Joback Calculated Property
Tfus	406.06	K	Joback Calculated Property
Vc	0.894	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[703.53; 795.04]	J/mol×K	[734.17; 935.57]
Cp,gas	703.53	J/mol×K	734.17	Joback Calculated Property
Cp,gas	721.58	J/mol×K	767.74	Joback Calculated Property
Cp,gas	738.49	J/mol×K	801.30	Joback Calculated Property
Cp,gas	754.28	J/mol×K	834.87	Joback Calculated Property
Cp,gas	768.95	J/mol×K	868.44	Joback Calculated Property
Cp,gas	782.53	J/mol×K	902.00	Joback Calculated Property
Cp,gas	795.04	J/mol×K	935.57	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, cyclohexylmethyl 3-methylbut-3-en-1-yl ester.

Sources

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

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