Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, 2-cyclohexylethyl propyl ester

InChI

InChI=1S/C19H32O4/c1-2-13-22-18(20)16-10-6-7-11-17(16)19(21)23-14-12-15-8-4-3-5-9-15/h15-17H,2-14H2,1H3

InChI Key

NIDOISHTNFWTJA-UHFFFAOYSA-N

Formula

C19H32O4

SMILES

CCCOC(=O)C1CCCCC1C(=O)OCCC1CCCCC1

Molecular Weight¹

324.45

• 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	0.7174		Relay (1.0) Calculated Property
ΔfG°	-470.45	kJ/mol	Joback Calculated Property
ΔfH°gas	-975.95	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.45	kJ/mol	Joback Calculated Property
ΔvapH°	95.31	kJ/mol	Relay (1.0) Calculated Property
IE	9.49	eV	Relay (1.0) Calculated Property
log10WS	-4.81		Relay (1.0) Calculated Property
logPoct/wat	4.260		Crippen Calculated Property
McVol	271.730	ml/mol	McGowan Calculated Property
Pc	1418.64	kPa	Joback Calculated Property
Inp	[2306.00; 2306.00]
Inp	2306.00		NIST
Inp	2306.00		NIST
Tboil	642.66	K	Relay (1.0) Calculated Property
Tc	857.25	K	Relay (1.0) Calculated Property
Tfus	296.07	K	Relay (1.0) Calculated Property
Vc	0.987	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[889.06; 991.41]	J/mol×K	[785.19; 996.55]
Cp,gas	889.06	J/mol×K	785.19	Joback Calculated Property
Cp,gas	910.39	J/mol×K	820.42	Joback Calculated Property
Cp,gas	929.98	J/mol×K	855.64	Joback Calculated Property
Cp,gas	947.85	J/mol×K	890.87	Joback Calculated Property
Cp,gas	964.03	J/mol×K	926.10	Joback Calculated Property
Cp,gas	978.55	J/mol×K	961.33	Joback Calculated Property
Cp,gas	991.41	J/mol×K	996.55	Joback Calculated Property
η	[0.0000658; 0.0022890]	Pa×s	[399.07; 785.19]
η	0.0022890	Pa×s	399.07	Joback Calculated Property
η	0.0008403	Pa×s	463.42	Joback Calculated Property
η	0.0003939	Pa×s	527.78	Joback Calculated Property
η	0.0002177	Pa×s	592.13	Joback Calculated Property
η	0.0001351	Pa×s	656.48	Joback Calculated Property
η	0.0000914	Pa×s	720.84	Joback Calculated Property
η	0.0000658	Pa×s	785.19	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 2-cyclohexylethyl propyl ester.

Sources

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

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