Chemical Properties of cis-Cyclohex-4-en-1,2-dicarboxylic acid, butyl octadecyl ester

InChI

InChI=1S/C30H54O4/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-22-26-34-30(32)28-24-21-20-23-27(28)29(31)33-25-6-4-2/h20-21,27-28H,3-19,22-26H2,1-2H3

InChI Key

BHJIHFQUZVNSML-UHFFFAOYSA-N

Formula

C30H54O4

SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C1CC=CCC1C(=O)OCCCC

Molecular Weight¹

478.75

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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	1.2023		Relay (1.0) Calculated Property
ΔfH°gas	-1102.80	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	73.16	kJ/mol	Joback Calculated Property
ΔvapH°	136.29	kJ/mol	Relay (1.0) Calculated Property
IE	9.44	eV	Relay (1.0) Calculated Property
log10WS	-8.16		Relay (1.0) Calculated Property
logPoct/wat	8.717		Crippen Calculated Property
McVol	433.280	ml/mol	McGowan Calculated Property
Pc	693.25	kPa	Joback Calculated Property
Inp	[3313.00; 3313.00]
Inp	3313.00		NIST
Inp	3313.00		NIST
Tboil	682.88	K	Relay (1.0) Calculated Property
Tc	885.57	K	Relay (1.0) Calculated Property
Tfus	314.50	K	Relay (1.0) Calculated Property
Vc	1.613	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1571.89; 1660.66]	J/mol×K	[1052.42; 1302.58]
Cp,gas	1571.89	J/mol×K	1052.42	Joback Calculated Property
Cp,gas	1592.41	J/mol×K	1094.11	Joback Calculated Property
Cp,gas	1610.52	J/mol×K	1135.81	Joback Calculated Property
Cp,gas	1626.32	J/mol×K	1177.50	Joback Calculated Property
Cp,gas	1639.88	J/mol×K	1219.19	Joback Calculated Property
Cp,gas	1651.29	J/mol×K	1260.89	Joback Calculated Property
Cp,gas	1660.66	J/mol×K	1302.58	Joback Calculated Property
η	[0.0000176; 0.0003102]	Pa×s	[576.08; 1052.42]
η	0.0003102	Pa×s	576.08	Joback Calculated Property
η	0.0001439	Pa×s	655.47	Joback Calculated Property
η	0.0000788	Pa×s	734.86	Joback Calculated Property
η	0.0000485	Pa×s	814.25	Joback Calculated Property
η	0.0000326	Pa×s	893.64	Joback Calculated Property
η	0.0000233	Pa×s	973.03	Joback Calculated Property
η	0.0000176	Pa×s	1052.42	Joback Calculated Property

Similar Compounds

Find more compounds similar to cis-Cyclohex-4-en-1,2-dicarboxylic acid, butyl octadecyl ester.

Sources

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

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