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°	76.32	kJ/mol	Joback Calculated Property
ΔvapH°	137.69	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	664.26	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	888.50	K	Relay (1.0) Calculated Property
Tfus	308.34	K	Relay (1.0) Calculated Property
Vc	1.615	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	[1552.92; 1642.23]	J/mol×K	[1016.48; 1254.46]
Cp,gas	1552.92	J/mol×K	1016.48	Joback Calculated Property
Cp,gas	1573.38	J/mol×K	1056.14	Joback Calculated Property
Cp,gas	1591.51	J/mol×K	1095.81	Joback Calculated Property
Cp,gas	1607.38	J/mol×K	1135.47	Joback Calculated Property
Cp,gas	1621.06	J/mol×K	1175.13	Joback Calculated Property
Cp,gas	1632.66	J/mol×K	1214.80	Joback Calculated Property
Cp,gas	1642.23	J/mol×K	1254.46	Joback Calculated Property
η	[0.0000131; 0.0004426]	Pa×s	[516.42; 1016.48]
η	0.0004426	Pa×s	516.42	Joback Calculated Property
η	0.0001637	Pa×s	599.76	Joback Calculated Property
η	0.0000772	Pa×s	683.11	Joback Calculated Property
η	0.0000429	Pa×s	766.45	Joback Calculated Property
η	0.0000267	Pa×s	849.79	Joback Calculated Property
η	0.0000181	Pa×s	933.14	Joback Calculated Property
η	0.0000131	Pa×s	1016.48	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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