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

InChI

InChI=1S/C28H50O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-22-31-27(29)25-19-16-17-20-26(25)28(30)32-23-21-24(2)3/h16-17,24-26H,4-15,18-23H2,1-3H3

InChI Key

GUHJPLDKGYGRGZ-UHFFFAOYSA-N

Formula

C28H50O4

SMILES

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

Molecular Weight¹

450.69

• 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	1.0985		Relay (1.0) Calculated Property
ΔfG°	-238.70	kJ/mol	Joback Calculated Property
ΔfH°gas	-1077.54	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	64.45	kJ/mol	Joback Calculated Property
ΔvapH°	125.08	kJ/mol	Relay (1.0) Calculated Property
IE	9.35	eV	Relay (1.0) Calculated Property
log10WS	-7.46		Relay (1.0) Calculated Property
logPoct/wat	7.792		Crippen Calculated Property
McVol	405.100	ml/mol	McGowan Calculated Property
Pc	772.46	kPa	Joback Calculated Property
Inp	[3053.00; 3053.00]
Inp	3053.00		NIST
Inp	3053.00		NIST
Tboil	671.56	K	Relay (1.0) Calculated Property
Tc	870.52	K	Relay (1.0) Calculated Property
Tfus	308.63	K	Relay (1.0) Calculated Property
Vc	1.496	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1443.30; 1532.67]	J/mol×K	[1006.22; 1235.53]
Cp,gas	1443.30	J/mol×K	1006.22	Joback Calculated Property
Cp,gas	1463.06	J/mol×K	1044.44	Joback Calculated Property
Cp,gas	1480.80	J/mol×K	1082.66	Joback Calculated Property
Cp,gas	1496.57	J/mol×K	1120.87	Joback Calculated Property
Cp,gas	1510.43	J/mol×K	1159.09	Joback Calculated Property
Cp,gas	1522.44	J/mol×K	1197.31	Joback Calculated Property
Cp,gas	1532.67	J/mol×K	1235.53	Joback Calculated Property
η	[0.0000218; 0.0004473]	Pa×s	[538.54; 1006.22]
η	0.0004473	Pa×s	538.54	Joback Calculated Property
η	0.0001966	Pa×s	616.49	Joback Calculated Property
η	0.0001039	Pa×s	694.43	Joback Calculated Property
η	0.0000625	Pa×s	772.38	Joback Calculated Property
η	0.0000412	Pa×s	850.33	Joback Calculated Property
η	0.0000292	Pa×s	928.27	Joback Calculated Property
η	0.0000218	Pa×s	1006.22	Joback Calculated Property

Similar Compounds

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

Sources

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

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