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

• 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.
• 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
ΔfG°	-71.47	kJ/mol	Joback Calculated Property
ΔfH°gas	-356.06	kJ/mol	Joback Calculated Property
ΔfusH°	20.18	kJ/mol	Joback Calculated Property
ΔvapH°	51.22	kJ/mol	Joback Calculated Property
log10WS	-3.21		Crippen 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	566.48	K	Joback Calculated Property
Tc	769.87	K	Joback Calculated Property
Tfus	302.78	K	Joback Calculated Property
Vc	0.645	m3/kmol	Joback 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

• 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.