Chemical Properties of cis-Cyclohex-4-en-1,2-dicarboxylic acid, heptyl 3-methylbutyl ester

InChI

InChI=1S/C20H34O4/c1-4-5-6-7-10-14-23-19(21)17-11-8-9-12-18(17)20(22)24-15-13-16(2)3/h8-9,16-18H,4-7,10-15H2,1-3H3

InChI Key

QZQADGKFNCDFKI-UHFFFAOYSA-N

Formula

C20H34O4

SMILES

CCCCCCCOC(=O)C1CC=CCC1C(=O)OCCC(C)C

Molecular Weight¹

338.48

• 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).
• 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°	-306.06	kJ/mol	Joback Calculated Property
ΔfH°gas	-859.25	kJ/mol	Joback Calculated Property
ΔfusH°	43.73	kJ/mol	Joback Calculated Property
ΔvapH°	78.45	kJ/mol	Joback Calculated Property
log10WS	-4.94		Crippen Calculated Property
logPoct/wat	4.672		Crippen Calculated Property
McVol	292.380	ml/mol	McGowan Calculated Property
Pc	1248.61	kPa	Joback Calculated Property
Inp	[2249.00; 2249.00]
Inp	2249.00		NIST
Inp	2249.00		NIST
Tboil	823.18	K	Joback Calculated Property
Tc	1020.86	K	Joback Calculated Property
Tfus	448.38	K	Joback Calculated Property
Vc	1.115	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[942.11; 1034.79]	J/mol×K	[823.18; 1020.86]
Cp,gas	942.11	J/mol×K	823.18	Joback Calculated Property
Cp,gas	960.78	J/mol×K	856.13	Joback Calculated Property
Cp,gas	978.14	J/mol×K	889.07	Joback Calculated Property
Cp,gas	994.20	J/mol×K	922.02	Joback Calculated Property
Cp,gas	1008.98	J/mol×K	954.96	Joback Calculated Property
Cp,gas	1022.51	J/mol×K	987.91	Joback Calculated Property
Cp,gas	1034.79	J/mol×K	1020.86	Joback Calculated Property
η	[0.0000698; 0.0011375]	Pa×s	[448.38; 823.18]
η	0.0011375	Pa×s	448.38	Joback Calculated Property
η	0.0005375	Pa×s	510.85	Joback Calculated Property
η	0.0002991	Pa×s	573.31	Joback Calculated Property
η	0.0001867	Pa×s	635.78	Joback Calculated Property
η	0.0001268	Pa×s	698.25	Joback Calculated Property
η	0.0000918	Pa×s	760.71	Joback Calculated Property
η	0.0000698	Pa×s	823.18	Joback Calculated Property

Similar Compounds

Find more compounds similar to cis-Cyclohex-4-en-1,2-dicarboxylic acid, heptyl 3-methylbutyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.