Chemical Properties of Adipic acid, heptadecyl trans-hex-3-enyl ester

InChI

InChI=1S/C29H54O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-23-27-33-29(31)25-21-20-24-28(30)32-26-22-8-6-4-2/h6,8H,3-5,7,9-27H2,1-2H3/b8-6+

InChI Key

HVGZSWXSJBLGNE-SOFGYWHQSA-N

Formula

C29H54O4

SMILES

CCC=CCCOC(=O)CCCCC(=O)OCCCCCCCCCCCCCCCCC

Molecular Weight¹

466.74

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1179.90	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	76.64	kJ/mol	Joback Calculated Property
ΔvapH°	132.24	kJ/mol	Relay (1.0) Calculated Property
IE	9.20	eV	Relay (1.0) Calculated Property
log10WS	-7.77		Relay (1.0) Calculated Property
logPoct/wat	8.861		Crippen Calculated Property
McVol	430.050	ml/mol	McGowan Calculated Property
Pc	671.85	kPa	Joback Calculated Property
Inp	[3235.00; 3235.00]
Inp	3235.00		NIST
Inp	3235.00		NIST
Tboil	674.78	K	Relay (1.0) Calculated Property
Tc	846.23	K	Relay (1.0) Calculated Property
Tfus	287.45	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1511.50; 1621.89]	J/mol×K	[1019.66; 1269.19]
Cp,gas	1511.50	J/mol×K	1019.66	Joback Calculated Property
Cp,gas	1534.47	J/mol×K	1061.25	Joback Calculated Property
Cp,gas	1555.46	J/mol×K	1102.84	Joback Calculated Property
Cp,gas	1574.59	J/mol×K	1144.42	Joback Calculated Property
Cp,gas	1591.97	J/mol×K	1186.01	Joback Calculated Property
Cp,gas	1607.70	J/mol×K	1227.60	Joback Calculated Property
Cp,gas	1621.89	J/mol×K	1269.19	Joback Calculated Property
η	[0.0000118; 0.0002552]	Pa×s	[555.83; 1019.66]
η	0.0002552	Pa×s	555.83	Joback Calculated Property
η	0.0001119	Pa×s	633.13	Joback Calculated Property
η	0.0000587	Pa×s	710.44	Joback Calculated Property
η	0.0000349	Pa×s	787.74	Joback Calculated Property
η	0.0000228	Pa×s	865.05	Joback Calculated Property
η	0.0000160	Pa×s	942.36	Joback Calculated Property
η	0.0000118	Pa×s	1019.66	Joback Calculated Property

Similar Compounds

Find more compounds similar to Adipic acid, heptadecyl trans-hex-3-enyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.