Chemical Properties of Pimelic acid, (2-(cyclohexenyl-3)-1-phenyl)ethyl 4-methyl-2-pentyl ester

InChI

InChI=1S/C27H40O4/c1-21(2)19-22(3)30-26(28)17-11-6-12-18-27(29)31-25(24-15-9-5-10-16-24)20-23-13-7-4-8-14-23/h5,7,9-10,13,15-16,21-23,25H,4,6,8,11-12,14,17-20H2,1-3H3

InChI Key

GYBQNAJPOCOMCO-UHFFFAOYSA-N

Formula

C27H40O4

SMILES

CC(C)CC(C)OC(=O)CCCCCC(=O)OC(CC1C=CCCC1)c1ccccc1

Molecular Weight¹

428.60

• 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°	-131.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-757.42	kJ/mol	Joback Calculated Property
ΔfusH°	47.79	kJ/mol	Joback Calculated Property
ΔvapH°	95.84	kJ/mol	Joback Calculated Property
log10WS	-7.79		Crippen Calculated Property
logPoct/wat	6.946		Crippen Calculated Property
McVol	367.250	ml/mol	McGowan Calculated Property
Pc	1025.97	kPa	Joback Calculated Property
Inp	[2979.00; 2979.00]
Inp	2979.00		NIST
Inp	2979.00		NIST
Tboil	1013.81	K	Joback Calculated Property
Tc	1243.07	K	Joback Calculated Property
Tfus	527.93	K	Joback Calculated Property
Vc	1.389	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1270.46; 1342.35]	J/mol×K	[1013.81; 1243.07]
Cp,gas	1270.46	J/mol×K	1013.81	Joback Calculated Property
Cp,gas	1286.57	J/mol×K	1052.02	Joback Calculated Property
Cp,gas	1300.93	J/mol×K	1090.23	Joback Calculated Property
Cp,gas	1313.62	J/mol×K	1128.44	Joback Calculated Property
Cp,gas	1324.70	J/mol×K	1166.65	Joback Calculated Property
Cp,gas	1334.25	J/mol×K	1204.86	Joback Calculated Property
Cp,gas	1342.35	J/mol×K	1243.07	Joback Calculated Property
η	[0.0000161; 0.0004923]	Pa×s	[527.93; 1013.81]
η	0.0004923	Pa×s	527.93	Joback Calculated Property
η	0.0001907	Pa×s	608.91	Joback Calculated Property
η	0.0000923	Pa×s	689.89	Joback Calculated Property
η	0.0000520	Pa×s	770.87	Joback Calculated Property
η	0.0000327	Pa×s	851.85	Joback Calculated Property
η	0.0000223	Pa×s	932.83	Joback Calculated Property
η	0.0000161	Pa×s	1013.81	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pimelic acid, (2-(cyclohexenyl-3)-1-phenyl)ethyl 4-methyl-2-pentyl ester.

Sources

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

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