Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, dodecyl hexyl ester

InChI

InChI=1S/C26H48O4/c1-3-5-7-9-10-11-12-13-14-18-22-30-26(28)24-20-16-15-19-23(24)25(27)29-21-17-8-6-4-2/h23-24H,3-22H2,1-2H3

InChI Key

BVVIURIMFIHNRV-UHFFFAOYSA-N

Formula

C26H48O4

SMILES

CCCCCCCCCCCCOC(=O)C1CCCCC1C(=O)OCCCCCC

Molecular Weight¹

424.66

• 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	1.0982		Relay (1.0) Calculated Property
ΔfG°	-283.06	kJ/mol	Joback Calculated Property
ΔfH°gas	-1128.12	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	61.58	kJ/mol	Joback Calculated Property
ΔvapH°	119.70	kJ/mol	Relay (1.0) Calculated Property
IE	9.73	eV	Relay (1.0) Calculated Property
log10WS	-7.19		Relay (1.0) Calculated Property
logPoct/wat	7.380		Crippen Calculated Property
McVol	381.220	ml/mol	McGowan Calculated Property
Pc	840.16	kPa	Joback Calculated Property
Inp	[2920.00; 2920.00]
Inp	2920.00		NIST
Inp	2920.00		NIST
Tboil	659.07	K	Relay (1.0) Calculated Property
Tc	872.59	K	Relay (1.0) Calculated Property
Tfus	310.76	K	Relay (1.0) Calculated Property
Vc	1.425	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1346.18; 1440.35]	J/mol×K	[961.74; 1178.14]
Cp,gas	1346.18	J/mol×K	961.74	Joback Calculated Property
Cp,gas	1366.30	J/mol×K	997.81	Joback Calculated Property
Cp,gas	1384.59	J/mol×K	1033.87	Joback Calculated Property
Cp,gas	1401.10	J/mol×K	1069.94	Joback Calculated Property
Cp,gas	1415.87	J/mol×K	1106.01	Joback Calculated Property
Cp,gas	1428.94	J/mol×K	1142.08	Joback Calculated Property
Cp,gas	1440.35	J/mol×K	1178.14	Joback Calculated Property
η	[0.0000296; 0.0005127]	Pa×s	[530.24; 961.74]
η	0.0005127	Pa×s	530.24	Joback Calculated Property
η	0.0002399	Pa×s	602.16	Joback Calculated Property
η	0.0001320	Pa×s	674.07	Joback Calculated Property
η	0.0000815	Pa×s	745.99	Joback Calculated Property
η	0.0000548	Pa×s	817.91	Joback Calculated Property
η	0.0000393	Pa×s	889.82	Joback Calculated Property
η	0.0000296	Pa×s	961.74	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, dodecyl hexyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.