Chemical Properties of Succinic acid, hept-2-yl 3-methylbut-3-en-1-yl ester

InChI

InChI=1S/C16H28O4/c1-5-6-7-8-14(4)20-16(18)10-9-15(17)19-12-11-13(2)3/h14H,2,5-12H2,1,3-4H3

InChI Key

ZSHJRVQCYFPZCT-UHFFFAOYSA-N

Formula

C16H28O4

SMILES

C=C(C)CCOC(=O)CCC(=O)OC(C)CCCCC

Molecular Weight¹

284.39

• 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	0.8004		Relay (... Calculated Property
ΔfG°	-307.15	kJ/mol	Joback Calculated Property
ΔfH°gas	-912.50	kJ/mol	Relay (... Calculated Property
ΔfusH°	36.66	kJ/mol	Joback Calculated Property
ΔvapH°	81.51	kJ/mol	Relay (... Calculated Property
IE	9.26	eV	Relay (... Calculated Property
log10WS	-3.60		Relay (... Calculated Property
logPoct/wat	3.788		Crippen Calculated Property
McVol	246.880	ml/mol	McGowan Calculated Property
Pc	1471.36	kPa	Joback Calculated Property
Inp	[1830.00; 1830.00]
Inp	1830.00		NIST
Inp	1830.00		NIST
Tboil	573.07	K	Relay (... Calculated Property
Tc	734.11	K	Relay (... Calculated Property
Tfus	244.23	K	Relay (... Calculated Property
Vc	0.916	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[709.19; 795.16]	J/mol×K	[714.18; 895.85]
Cp,gas	709.19	J/mol×K	714.18	Joback Calculated Property
Cp,gas	725.58	J/mol×K	744.46	Joback Calculated Property
Cp,gas	741.14	J/mol×K	774.74	Joback Calculated Property
Cp,gas	755.86	J/mol×K	805.02	Joback Calculated Property
Cp,gas	769.76	J/mol×K	835.30	Joback Calculated Property
Cp,gas	782.86	J/mol×K	865.57	Joback Calculated Property
Cp,gas	795.16	J/mol×K	895.85	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, hept-2-yl 3-methylbut-3-en-1-yl ester.

Sources

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

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