Chemical Properties of Dimethyl (Z)-2-n-hexyl-3-methylbutendioate

InChI

InChI=1S/C13H22O4/c1-5-6-7-8-9-11(13(15)17-4)10(2)12(14)16-3/h5-9H2,1-4H3/b11-10+

InChI Key

SBJHHFISYOOZLE-ZHACJKMWSA-N

Formula

C13H22O4

SMILES

CCCCCCC(C(=O)OC)=C(C)C(=O)OC

Molecular Weight¹

242.31

• 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	0.6926		Relay (1.0) Calculated Property
ΔfG°	-346.14	kJ/mol	Joback Calculated Property
ΔfH°gas	-806.74	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	32.58	kJ/mol	Joback Calculated Property
ΔvapH°	75.85	kJ/mol	Relay (1.0) Calculated Property
IE	9.37	eV	Relay (1.0) Calculated Property
log10WS	-3.44		Relay (1.0) Calculated Property
logPoct/wat	2.619		Crippen Calculated Property
McVol	204.610	ml/mol	McGowan Calculated Property
Pc	1870.79	kPa	Joback Calculated Property
Inp	[1587.00; 1587.00]
Inp	1587.00		NIST
Inp	1587.00		NIST
Tboil	541.26	K	Relay (1.0) Calculated Property
Tc	721.15	K	Relay (1.0) Calculated Property
Tfus	279.68	K	Relay (1.0) Calculated Property
Vc	0.756	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[546.32; 625.52]	J/mol×K	[653.34; 840.46]
Cp,gas	546.32	J/mol×K	653.34	Joback Calculated Property
Cp,gas	561.30	J/mol×K	684.53	Joback Calculated Property
Cp,gas	575.56	J/mol×K	715.71	Joback Calculated Property
Cp,gas	589.09	J/mol×K	746.90	Joback Calculated Property
Cp,gas	601.92	J/mol×K	778.08	Joback Calculated Property
Cp,gas	614.06	J/mol×K	809.27	Joback Calculated Property
Cp,gas	625.52	J/mol×K	840.46	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dimethyl (Z)-2-n-hexyl-3-methylbutendioate.

Sources

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

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