Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, decyl methyl ester

InChI

InChI=1S/C19H34O4/c1-3-4-5-6-7-8-9-12-15-23-19(21)17-14-11-10-13-16(17)18(20)22-2/h16-17H,3-15H2,1-2H3

InChI Key

KFELCXUDOADCIU-UHFFFAOYSA-N

Formula

C19H34O4

SMILES

CCCCCCCCCCOC(=O)C1CCCCC1C(=O)OC

Molecular Weight¹

326.47

• 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	0.8417		Relay (1.0) Calculated Property
ΔfG°	-342.00	kJ/mol	Joback Calculated Property
ΔfH°gas	-980.49	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	43.45	kJ/mol	Joback Calculated Property
ΔvapH°	99.82	kJ/mol	Relay (1.0) Calculated Property
IE	9.65	eV	Relay (1.0) Calculated Property
log10WS	-5.12		Relay (1.0) Calculated Property
logPoct/wat	4.650		Crippen Calculated Property
McVol	282.590	ml/mol	McGowan Calculated Property
Pc	1295.79	kPa	Joback Calculated Property
Inp	[2289.00; 2289.00]
Inp	2289.00		NIST
Inp	2289.00		NIST
Tboil	607.67	K	Relay (1.0) Calculated Property
Tc	819.50	K	Relay (1.0) Calculated Property
Tfus	308.72	K	Relay (1.0) Calculated Property
Vc	1.040	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[908.76; 1004.88]	J/mol×K	[801.58; 996.17]
Cp,gas	908.76	J/mol×K	801.58	Joback Calculated Property
Cp,gas	927.91	J/mol×K	834.01	Joback Calculated Property
Cp,gas	945.79	J/mol×K	866.44	Joback Calculated Property
Cp,gas	962.41	J/mol×K	898.87	Joback Calculated Property
Cp,gas	977.79	J/mol×K	931.31	Joback Calculated Property
Cp,gas	991.95	J/mol×K	963.74	Joback Calculated Property
Cp,gas	1004.88	J/mol×K	996.17	Joback Calculated Property
η	[0.0000810; 0.0011198]	Pa×s	[451.35; 801.58]
η	0.0011198	Pa×s	451.35	Joback Calculated Property
η	0.0005626	Pa×s	509.72	Joback Calculated Property
η	0.0003257	Pa×s	568.09	Joback Calculated Property
η	0.0002087	Pa×s	626.46	Joback Calculated Property
η	0.0001443	Pa×s	684.84	Joback Calculated Property
η	0.0001057	Pa×s	743.21	Joback Calculated Property
η	0.0000810	Pa×s	801.58	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, decyl methyl ester.

Sources

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

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