Chemical Properties of 3-Cyclopentylpropionic acid, 3-methylbut-2-enyl ester

InChI

InChI=1S/C13H22O2/c1-11(2)9-10-15-13(14)8-7-12-5-3-4-6-12/h9,12H,3-8,10H2,1-2H3

InChI Key

YSICNKUSJOTUON-UHFFFAOYSA-N

Formula

C13H22O2

SMILES

CC(C)=CCOC(=O)CCC1CCCC1

Molecular Weight¹

210.31

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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°	-67.12	kJ/mol	Joback Calculated Property
ΔfH°gas	-388.54	kJ/mol	Joback Calculated Property
ΔfusH°	25.04	kJ/mol	Joback Calculated Property
ΔvapH°	53.98	kJ/mol	Joback Calculated Property
log10WS	-3.63		Crippen Calculated Property
logPoct/wat	3.466		Crippen Calculated Property
McVol	186.310	ml/mol	McGowan Calculated Property
Pc	2098.42	kPa	Joback Calculated Property
Inp	[1549.00; 1549.00]
Inp	1549.00		NIST
Inp	1549.00		NIST
Tboil	592.45	K	Joback Calculated Property
Tc	794.12	K	Joback Calculated Property
Tfus	300.29	K	Joback Calculated Property
Vc	0.710	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[485.03; 581.82]	J/mol×K	[592.45; 794.12]
Cp,gas	485.03	J/mol×K	592.45	Joback Calculated Property
Cp,gas	503.58	J/mol×K	626.06	Joback Calculated Property
Cp,gas	521.12	J/mol×K	659.67	Joback Calculated Property
Cp,gas	537.67	J/mol×K	693.28	Joback Calculated Property
Cp,gas	553.28	J/mol×K	726.89	Joback Calculated Property
Cp,gas	567.98	J/mol×K	760.50	Joback Calculated Property
Cp,gas	581.82	J/mol×K	794.12	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Cyclopentylpropionic acid, 3-methylbut-2-enyl ester.

Sources

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

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