Chemical Properties of cis-Cyclohex-4-en-1,2-dicarboxylic acid, di(2-methylpent-3-yl) ester

InChI

InChI=1S/C20H34O4/c1-7-17(13(3)4)23-19(21)15-11-9-10-12-16(15)20(22)24-18(8-2)14(5)6/h9-10,13-18H,7-8,11-12H2,1-6H3

InChI Key

YATYGCAZZLBGLV-UHFFFAOYSA-N

Formula

C20H34O4

SMILES

CCC(OC(=O)C1CC=CCC1C(=O)OC(CC)C(C)C)C(C)C

Molecular Weight¹

338.48

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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	0.6888		Relay (1.0) Calculated Property
ΔfG°	-313.38	kJ/mol	Joback Calculated Property
ΔfH°gas	-948.68	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.17	kJ/mol	Joback Calculated Property
ΔvapH°	88.83	kJ/mol	Relay (1.0) Calculated Property
IE	9.08	eV	Relay (1.0) Calculated Property
log10WS	-4.61		Relay (1.0) Calculated Property
logPoct/wat	4.524		Crippen Calculated Property
McVol	292.380	ml/mol	McGowan Calculated Property
Pc	1270.06	kPa	Joback Calculated Property
Inp	[2189.00; 2189.00]
Inp	2189.00		NIST
Inp	2189.00		NIST
Tboil	604.27	K	Relay (1.0) Calculated Property
Tc	791.39	K	Relay (1.0) Calculated Property
Tfus	292.93	K	Relay (1.0) Calculated Property
Vc	1.032	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[943.57; 1037.89]	J/mol×K	[821.86; 1025.52]
Cp,gas	943.57	J/mol×K	821.86	Joback Calculated Property
Cp,gas	962.79	J/mol×K	855.80	Joback Calculated Property
Cp,gas	980.58	J/mol×K	889.75	Joback Calculated Property
Cp,gas	996.96	J/mol×K	923.69	Joback Calculated Property
Cp,gas	1011.96	J/mol×K	957.64	Joback Calculated Property
Cp,gas	1025.60	J/mol×K	991.58	Joback Calculated Property
Cp,gas	1037.89	J/mol×K	1025.52	Joback Calculated Property
η	[0.0000539; 0.0019978]	Pa×s	[403.38; 821.86]
η	0.0019978	Pa×s	403.38	Joback Calculated Property
η	0.0007019	Pa×s	473.13	Joback Calculated Property
η	0.0003226	Pa×s	542.87	Joback Calculated Property
η	0.0001770	Pa×s	612.62	Joback Calculated Property
η	0.0001098	Pa×s	682.37	Joback Calculated Property
η	0.0000744	Pa×s	752.11	Joback Calculated Property
η	0.0000539	Pa×s	821.86	Joback Calculated Property

Similar Compounds

Find more compounds similar to cis-Cyclohex-4-en-1,2-dicarboxylic acid, di(2-methylpent-3-yl) ester.

Sources

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

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