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

• 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).
• 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
ΔfG°	-219.42	kJ/mol	Joback Calculated Property
ΔfH°gas	-1060.37	kJ/mol	Joback Calculated Property
ΔfusH°	73.16	kJ/mol	Joback Calculated Property
ΔvapH°	101.10	kJ/mol	Joback Calculated Property
log10WS	-9.37		Crippen 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	1052.42	K	Joback Calculated Property
Tc	1302.58	K	Joback Calculated Property
Tfus	576.08	K	Joback Calculated Property
Vc	1.681	m3/kmol	Joback Calculated Property

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

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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