Chemical Properties of cis-Cyclohex-4-en-1,2-dicarboxylic acid, heptadecyl 3-methylbutyl ester

InChI

InChI=1S/C30H54O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-33-29(31)27-21-18-19-22-28(27)30(32)34-25-23-26(2)3/h18-19,26-28H,4-17,20-25H2,1-3H3

InChI Key

HIZGXUYEEGVKRA-UHFFFAOYSA-N

Formula

C30H54O4

SMILES

CCCCCCCCCCCCCCCCCOC(=O)C1CC=CCC1C(=O)OCCC(C)C

Molecular Weight¹

478.75

• 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	1.1689		Relay (1.0) Calculated Property
ΔfG°	-221.86	kJ/mol	Joback Calculated Property
ΔfH°gas	-1118.65	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	69.64	kJ/mol	Joback Calculated Property
ΔvapH°	132.91	kJ/mol	Relay (1.0) Calculated Property
IE	9.42	eV	Relay (1.0) Calculated Property
log10WS	-8.08		Relay (1.0) Calculated Property
logPoct/wat	8.573		Crippen Calculated Property
McVol	433.280	ml/mol	McGowan Calculated Property
Pc	696.18	kPa	Joback Calculated Property
Inp	[3257.00; 3257.00]
Inp	3257.00		NIST
Inp	3257.00		NIST
Tboil	684.80	K	Relay (1.0) Calculated Property
Tc	884.01	K	Relay (1.0) Calculated Property
Tfus	313.01	K	Relay (1.0) Calculated Property
Vc	1.605	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1572.08; 1659.63]	J/mol×K	[1051.98; 1299.91]
Cp,gas	1572.08	J/mol×K	1051.98	Joback Calculated Property
Cp,gas	1592.35	J/mol×K	1093.30	Joback Calculated Property
Cp,gas	1610.23	J/mol×K	1134.62	Joback Calculated Property
Cp,gas	1625.81	J/mol×K	1175.94	Joback Calculated Property
Cp,gas	1639.18	J/mol×K	1217.27	Joback Calculated Property
Cp,gas	1650.42	J/mol×K	1258.59	Joback Calculated Property
Cp,gas	1659.63	J/mol×K	1299.91	Joback Calculated Property
η	[0.0000160; 0.0003438]	Pa×s	[561.08; 1051.98]
η	0.0003438	Pa×s	561.08	Joback Calculated Property
η	0.0001489	Pa×s	642.90	Joback Calculated Property
η	0.0000779	Pa×s	724.71	Joback Calculated Property
η	0.0000465	Pa×s	806.53	Joback Calculated Property
η	0.0000305	Pa×s	888.35	Joback Calculated Property
η	0.0000215	Pa×s	970.16	Joback Calculated Property
η	0.0000160	Pa×s	1051.98	Joback Calculated Property

Similar Compounds

Find more compounds similar to cis-Cyclohex-4-en-1,2-dicarboxylic acid, heptadecyl 3-methylbutyl ester.

Sources

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

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