Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, isopropyl tetradecyl ester

InChI

InChI=1S/C25H46O4/c1-4-5-6-7-8-9-10-11-12-13-14-17-20-28-24(26)22-18-15-16-19-23(22)25(27)29-21(2)3/h21-23H,4-20H2,1-3H3

InChI Key

DMQGRFYPPLJCBL-UHFFFAOYSA-N

Formula

C25H46O4

SMILES

CCCCCCCCCCCCCCOC(=O)C1CCCCC1C(=O)OC(C)C

Molecular Weight¹

410.63

• 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	1.0274		Relay (1.0) Calculated Property
ΔfG°	-293.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-1128.40	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	55.46	kJ/mol	Joback Calculated Property
ΔvapH°	116.48	kJ/mol	Relay (1.0) Calculated Property
IE	9.71	eV	Relay (1.0) Calculated Property
log10WS	-6.89		Relay (1.0) Calculated Property
logPoct/wat	6.989		Crippen Calculated Property
McVol	367.130	ml/mol	McGowan Calculated Property
Pc	893.20	kPa	Joback Calculated Property
Inp	[2829.00; 2829.00]
Inp	2829.00		NIST
Inp	2829.00		NIST
Tboil	639.53	K	Relay (1.0) Calculated Property
Tc	857.87	K	Relay (1.0) Calculated Property
Tfus	313.36	K	Relay (1.0) Calculated Property
Vc	1.372	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1282.66; 1376.89]	J/mol×K	[938.42; 1148.91]
Cp,gas	1282.66	J/mol×K	938.42	Joback Calculated Property
Cp,gas	1302.54	J/mol×K	973.50	Joback Calculated Property
Cp,gas	1320.70	J/mol×K	1008.58	Joback Calculated Property
Cp,gas	1337.18	J/mol×K	1043.67	Joback Calculated Property
Cp,gas	1352.01	J/mol×K	1078.75	Joback Calculated Property
Cp,gas	1365.24	J/mol×K	1113.83	Joback Calculated Property
Cp,gas	1376.89	J/mol×K	1148.91	Joback Calculated Property
η	[0.0000313; 0.0006590]	Pa×s	[503.97; 938.42]
η	0.0006590	Pa×s	503.97	Joback Calculated Property
η	0.0002884	Pa×s	576.38	Joback Calculated Property
η	0.0001518	Pa×s	648.79	Joback Calculated Property
η	0.0000909	Pa×s	721.19	Joback Calculated Property
η	0.0000597	Pa×s	793.60	Joback Calculated Property
η	0.0000421	Pa×s	866.01	Joback Calculated Property
η	0.0000313	Pa×s	938.42	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, isopropyl tetradecyl ester.

Sources

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

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