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_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°	-417.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-705.35	kJ/mol	Joback Calculated Property
ΔfusH°	20.14	kJ/mol	Joback Calculated Property
ΔvapH°	56.29	kJ/mol	Joback Calculated Property
log10WS	-1.14		Crippen Calculated Property
logPoct/wat	1.139		Crippen Calculated Property
McVol	155.780	ml/mol	McGowan Calculated Property
Pc	2729.71	kPa	Joback Calculated Property
Inp	[1359.00; 1384.00]
Inp	1359.00		NIST
Inp	1366.00		NIST
Inp	1375.00		NIST
Inp	1384.00		NIST
Tboil	595.66	K	Joback Calculated Property
Tc	806.87	K	Joback Calculated Property
Tfus	349.92	K	Joback Calculated Property
Vc	0.576	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[406.56; 492.77]	J/mol×K	[595.66; 806.87]
Cp,gas	406.56	J/mol×K	595.66	Joback Calculated Property
Cp,gas	423.19	J/mol×K	630.86	Joback Calculated Property
Cp,gas	438.92	J/mol×K	666.06	Joback Calculated Property
Cp,gas	453.76	J/mol×K	701.26	Joback Calculated Property
Cp,gas	467.69	J/mol×K	736.46	Joback Calculated Property
Cp,gas	480.69	J/mol×K	771.67	Joback Calculated Property
Cp,gas	492.77	J/mol×K	806.87	Joback Calculated Property
η	[0.0002314; 0.0020866]	Pa×s	[349.92; 595.66]
η	0.0020866	Pa×s	349.92	Joback Calculated Property
η	0.0011937	Pa×s	390.88	Joback Calculated Property
η	0.0007592	Pa×s	431.83	Joback Calculated Property
η	0.0005222	Pa×s	472.79	Joback Calculated Property
η	0.0003813	Pa×s	513.75	Joback Calculated Property
η	0.0002916	Pa×s	554.70	Joback Calculated Property
η	0.0002314	Pa×s	595.66	Joback Calculated Property

Similar Compounds

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

Sources

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

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