Chemical Properties of 13-(cyclopent-2-enyl)tridecanoic acid (CAS 29106-32-9)

InChI

InChI=1S/C18H32O2/c19-18(20)16-10-8-6-4-2-1-3-5-7-9-13-17-14-11-12-15-17/h11,14,17H,1-10,12-13,15-16H2,(H,19,20)/t17-/m0/s1

InChI Key

XMVQWNRDPAAMJB-KRWDZBQOSA-N

Formula

C18H32O2

SMILES

O=C(O)CCCCCCCCCCCCC1C=CCC1

Molecular Weight¹

280.45

CAS

29106-32-9

Other Names

• 13-(2-cyclopenten-1-yl)tridecanoic acid

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	47.68	kJ/mol	Joback Calculated Property
ΔvapH°	124.64	kJ/mol	Relay (1.0) Calculated Property
IE	9.15	eV	Relay (1.0) Calculated Property
log10WS	-5.68		Relay (1.0) Calculated Property
logPoct/wat	5.718		Crippen Calculated Property
McVol	256.760	ml/mol	McGowan Calculated Property
Pc	1433.72	kPa	Joback Calculated Property
Inp	[2230.50; 2230.50]
Inp	2230.50		NIST
Inp	2230.50		NIST
Tboil	622.71	K	Relay (1.0) Calculated Property
Tfus	341.30 ± 2.00	K	NIST

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, 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	[804.16; 896.56]	J/mol×K	[771.39; 963.73]
Cp,gas	804.16	J/mol×K	771.39	Joback Calculated Property
Cp,gas	821.85	J/mol×K	803.45	Joback Calculated Property
Cp,gas	838.55	J/mol×K	835.50	Joback Calculated Property
Cp,gas	854.32	J/mol×K	867.56	Joback Calculated Property
Cp,gas	869.20	J/mol×K	899.62	Joback Calculated Property
Cp,gas	883.27	J/mol×K	931.67	Joback Calculated Property
Cp,gas	896.56	J/mol×K	963.73	Joback Calculated Property
η	[0.0001332; 0.0012180]	Pa×s	[464.88; 771.39]
η	0.0012180	Pa×s	464.88	Joback Calculated Property
η	0.0007017	Pa×s	515.97	Joback Calculated Property
η	0.0004465	Pa×s	567.05	Joback Calculated Property
η	0.0003061	Pa×s	618.13	Joback Calculated Property
η	0.0002223	Pa×s	669.22	Joback Calculated Property
η	0.0001690	Pa×s	720.31	Joback Calculated Property
η	0.0001332	Pa×s	771.39	Joback Calculated Property

Similar Compounds

Find more compounds similar to 13-(cyclopent-2-enyl)tridecanoic acid.

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.
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