Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, dimethyl ester, cis- (CAS 1687-29-2)

InChI

InChI=1S/C10H16O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h7-8H,3-6H2,1-2H3/t7-,8+

InChI Key

AIACXWOETVLBIA-OCAPTIKFSA-N

Formula

C10H16O4

SMILES

COC(=O)C1CCCCC1C(=O)OC

Molecular Weight¹

200.23

CAS

1687-29-2

Other Names

• 1,2-Cyclohexanedicarboxylic acid, 1,2-dimethyl ester, (1S,2R)-rel-
• dimethyl cis-1,2-cyclohexanedicarboxylate

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-784.27	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.30	kJ/mol	Joback Calculated Property
ΔvapH°	75.42	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	1.139		Crippen Calculated Property
McVol	155.780	ml/mol	McGowan Calculated Property
Inp	[1359.00; 1384.00]
Inp	1359.00		NIST
Inp	1366.00		NIST
Inp	1375.00		NIST
Inp	1384.00		NIST
Tboil	509.85	K	Relay (1.0) Calculated Property
Tfus	323.95	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[394.90; 484.45]	J/mol×K	[559.72; 766.17]
Cp,gas	394.90	J/mol×K	559.72	Joback Calculated Property
Cp,gas	412.22	J/mol×K	594.13	Joback Calculated Property
Cp,gas	428.59	J/mol×K	628.54	Joback Calculated Property
Cp,gas	444.00	J/mol×K	662.94	Joback Calculated Property
Cp,gas	458.46	J/mol×K	697.35	Joback Calculated Property
Cp,gas	471.94	J/mol×K	731.76	Joback Calculated Property
Cp,gas	484.45	J/mol×K	766.17	Joback Calculated Property
η	[0.0001929; 0.0045670]	Pa×s	[290.26; 559.72]
η	0.0045670	Pa×s	290.26	Joback Calculated Property
η	0.0018928	Pa×s	335.17	Joback Calculated Property
η	0.0009660	Pa×s	380.08	Joback Calculated Property
η	0.0005683	Pa×s	424.99	Joback Calculated Property
η	0.0003700	Pa×s	469.90	Joback Calculated Property
η	0.0002597	Pa×s	514.81	Joback Calculated Property
η	0.0001929	Pa×s	559.72	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, dimethyl ester, cis-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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