Chemical Properties of 4-Cyclohexene-1,2-dicarboxylic acid, 4-methyl-, dimethyl ester (CAS 86905-77-3)

InChI

InChI=1S/C11H16O4/c1-7-4-5-8(10(12)14-2)9(6-7)11(13)15-3/h4,8-9H,5-6H2,1-3H3

InChI Key

GODQWBQDOFWJQS-UHFFFAOYSA-N

Formula

C11H16O4

SMILES

COC(=O)C1CC=C(C)CC1C(=O)OC

Molecular Weight¹

212.24

CAS

86905-77-3

• 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	0.4540		Relay (1.0) Calculated Property
ΔfG°	-389.03	kJ/mol	Joback Calculated Property
ΔfH°gas	-673.28	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.56	kJ/mol	Joback Calculated Property
ΔvapH°	77.31	kJ/mol	Relay (1.0) Calculated Property
IE	9.12	eV	Relay (1.0) Calculated Property
log10WS	-2.02		Relay (1.0) Calculated Property
logPoct/wat	1.305		Crippen Calculated Property
McVol	165.570	ml/mol	McGowan Calculated Property
Pc	2527.73	kPa	Joback Calculated Property
Inp	[1424.00; 1442.00]
Inp	1424.00		NIST
Inp	1429.00		NIST
Inp	1436.00		NIST
Inp	1442.00		NIST
Tboil	511.47	K	Relay (1.0) Calculated Property
Tc	717.74	K	Relay (1.0) Calculated Property
Tfus	315.61	K	Relay (1.0) Calculated Property
Vc	0.573	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[435.53; 517.83]	J/mol×K	[622.68; 833.27]
Cp,gas	435.53	J/mol×K	622.68	Joback Calculated Property
Cp,gas	451.47	J/mol×K	657.78	Joback Calculated Property
Cp,gas	466.54	J/mol×K	692.88	Joback Calculated Property
Cp,gas	480.72	J/mol×K	727.98	Joback Calculated Property
Cp,gas	494.00	J/mol×K	763.08	Joback Calculated Property
Cp,gas	506.38	J/mol×K	798.18	Joback Calculated Property
Cp,gas	517.83	J/mol×K	833.27	Joback Calculated Property
η	[0.0002146; 0.0014773]	Pa×s	[374.47; 622.68]
η	0.0014773	Pa×s	374.47	Joback Calculated Property
η	0.0009128	Pa×s	415.84	Joback Calculated Property
η	0.0006153	Pa×s	457.21	Joback Calculated Property
η	0.0004429	Pa×s	498.58	Joback Calculated Property
η	0.0003352	Pa×s	539.94	Joback Calculated Property
η	0.0002640	Pa×s	581.31	Joback Calculated Property
η	0.0002146	Pa×s	622.68	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Cyclohexene-1,2-dicarboxylic acid, 4-methyl-, dimethyl ester.

Sources

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

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