Chemical Properties of Sebacic acid, di(3-methylbut-3-enyl) ester

InChI

InChI=1S/C20H34O4/c1-17(2)13-15-23-19(21)11-9-7-5-6-8-10-12-20(22)24-16-14-18(3)4/h1,3,5-16H2,2,4H3

InChI Key

TUQYJYUXCPBEGU-UHFFFAOYSA-N

Formula

C20H34O4

SMILES

C=C(C)CCOC(=O)CCCCCCCCC(=O)OCCC(=C)C

Molecular Weight¹

338.48

• 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°	-191.74	kJ/mol	Joback Calculated Property
ΔfH°gas	-714.45	kJ/mol	Joback Calculated Property
ΔfusH°	47.95	kJ/mol	Joback Calculated Property
ΔvapH°	77.25	kJ/mol	Joback Calculated Property
log10WS	-5.63		Crippen Calculated Property
logPoct/wat	5.126		Crippen Calculated Property
McVol	298.940	ml/mol	McGowan Calculated Property
Pc	1147.54	kPa	Joback Calculated Property
Inp	[2363.00; 2363.00]
Inp	2363.00		NIST
Inp	2363.00		NIST
Tboil	802.70	K	Joback Calculated Property
Tc	988.99	K	Joback Calculated Property
Tfus	428.04	K	Joback Calculated Property
Vc	1.167	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[914.69; 1004.35]	J/mol×K	[802.70; 988.99]
Cp,gas	914.69	J/mol×K	802.70	Joback Calculated Property
Cp,gas	932.01	J/mol×K	833.75	Joback Calculated Property
Cp,gas	948.35	J/mol×K	864.80	Joback Calculated Property
Cp,gas	963.73	J/mol×K	895.84	Joback Calculated Property
Cp,gas	978.17	J/mol×K	926.89	Joback Calculated Property
Cp,gas	991.70	J/mol×K	957.94	Joback Calculated Property
Cp,gas	1004.35	J/mol×K	988.99	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, di(3-methylbut-3-enyl) ester.

Sources

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

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