Chemical Properties of Cyclohexanepropanoic acid, 2-propenyl ester (CAS 2705-87-5)

InChI

InChI=1S/C12H20O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h2,11H,1,3-10H2

InChI Key

TWXUTZNBHUWMKJ-UHFFFAOYSA-N

Formula

C12H20O2

SMILES

C=CCOC(=O)CCC1CCCCC1

Molecular Weight¹

196.29

CAS

2705-87-5

Other Names

• Cyclohexanepropionic acid, allyl ester
• Allyl cyclohexanepropionate
• Allyl cyclohexylpropionate
• 3-Allylcyclohexyl propionate
• Allyl hexahydrophenylpropionate
• Cyclohexanol, 3-allyl-, propionate
• Ananolide
• Allyl-3-cyclohexyl propionate
• Propanoic acid, 3-cyclohexyl, 2-propenyl ester
• allyl cyclohexylpropanoate

• 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.
• I : 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	0.4897		Relay (... Calculated Property
ΔfG°	-71.47	kJ/mol	Joback Calculated Property
ΔfH°gas	-462.46	kJ/mol	Relay (... Calculated Property
ΔfusH°	20.18	kJ/mol	Joback Calculated Property
ΔvapH°	61.72	kJ/mol	Relay (... Calculated Property
IE	9.36	eV	Relay (... Calculated Property
log10WS	-3.32		Relay (... Calculated Property
logPoct/wat	3.076		Crippen Calculated Property
McVol	172.220	ml/mol	McGowan Calculated Property
Pc	2318.07	kPa	Joback Calculated Property
Inp	[1405.00; 1435.00]
Inp	1407.00		NIST
Inp	1406.70		NIST
Inp	1420.00		NIST
Inp	1435.00		NIST
Inp	1405.00		NIST
Inp	1435.00		NIST
Inp	1420.00		NIST
I	[1778.00; 1826.00]
I	1826.00		NIST
I	1778.00		NIST
I	1800.00		NIST
I	1800.00		NIST
Tboil	533.19	K	Relay (... Calculated Property
Tc	734.49	K	Relay (... Calculated Property
Tfus	224.33	K	Relay (... Calculated Property
Vc	0.589	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[434.02; 530.94]	J/mol×K	[566.48; 769.87]
Cp,gas	434.02	J/mol×K	566.48	Joback Calculated Property
Cp,gas	452.58	J/mol×K	600.38	Joback Calculated Property
Cp,gas	470.15	J/mol×K	634.28	Joback Calculated Property
Cp,gas	486.75	J/mol×K	668.18	Joback Calculated Property
Cp,gas	502.40	J/mol×K	702.08	Joback Calculated Property
Cp,gas	517.12	J/mol×K	735.97	Joback Calculated Property
Cp,gas	530.94	J/mol×K	769.87	Joback Calculated Property
η	[0.0002079; 0.0036730]	Pa×s	[302.78; 566.48]
η	0.0036730	Pa×s	302.78	Joback Calculated Property
η	0.0016805	Pa×s	346.73	Joback Calculated Property
η	0.0009168	Pa×s	390.68	Joback Calculated Property
η	0.0005653	Pa×s	434.63	Joback Calculated Property
η	0.0003810	Pa×s	478.58	Joback Calculated Property
η	0.0002744	Pa×s	522.53	Joback Calculated Property
η	0.0002079	Pa×s	566.48	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexanepropanoic acid, 2-propenyl ester.

Sources

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

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