Chemical Properties of Adipic acid, heptyl 3-methylbut-3-enyl ester

InChI

InChI=1S/C18H32O4/c1-4-5-6-7-10-14-21-17(19)11-8-9-12-18(20)22-15-13-16(2)3/h2,4-15H2,1,3H3

InChI Key

AYOLIVNMJQZZKT-UHFFFAOYSA-N

Formula

C18H32O4

SMILES

C=C(C)CCOC(=O)CCCCC(=O)OCCCCCCC

Molecular Weight¹

312.44

• 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°	-287.87	kJ/mol	Joback Calculated Property
ΔfH°gas	-788.81	kJ/mol	Joback Calculated Property
ΔfusH°	45.36	kJ/mol	Joback Calculated Property
ΔvapH°	73.38	kJ/mol	Joback Calculated Property
log10WS	-4.94		Crippen Calculated Property
logPoct/wat	4.570		Crippen Calculated Property
McVol	275.060	ml/mol	McGowan Calculated Property
Pc	1269.16	kPa	Joback Calculated Property
Inp	[2121.00; 2121.00]
Inp	2121.00		NIST
Inp	2121.00		NIST
Tboil	760.38	K	Joback Calculated Property
Tc	941.30	K	Joback Calculated Property
Tfus	421.22	K	Joback Calculated Property
Vc	1.073	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[823.33; 912.00]	J/mol×K	[760.38; 941.30]
Cp,gas	823.33	J/mol×K	760.38	Joback Calculated Property
Cp,gas	840.31	J/mol×K	790.53	Joback Calculated Property
Cp,gas	856.40	J/mol×K	820.69	Joback Calculated Property
Cp,gas	871.59	J/mol×K	850.84	Joback Calculated Property
Cp,gas	885.91	J/mol×K	880.99	Joback Calculated Property
Cp,gas	899.38	J/mol×K	911.14	Joback Calculated Property
Cp,gas	912.00	J/mol×K	941.30	Joback Calculated Property

Similar Compounds

Find more compounds similar to Adipic acid, heptyl 3-methylbut-3-enyl ester.

Sources

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

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