Chemical Properties of Decanoic acid, 2-propenyl ester (CAS 57856-81-2)

InChI

InChI=1S/C13H24O2/c1-3-5-6-7-8-9-10-11-13(14)15-12-4-2/h4H,2-3,5-12H2,1H3

InChI Key

DQVOTEHORLHPRW-UHFFFAOYSA-N

Formula

C13H24O2

SMILES

C=CCOC(=O)CCCCCCCCC

Molecular Weight¹

212.33

CAS

57856-81-2

Other Names

• Allyl caprate
• Allyl n-decanoate
• Allyl decanoate

• 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	0.6831		Relay (1.0) Calculated Property
ΔfG°	-163.95	kJ/mol	Joback Calculated Property
ΔfH°gas	-514.47	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	32.52	kJ/mol	Joback Calculated Property
ΔvapH°	68.58	kJ/mol	Relay (1.0) Calculated Property
IE	9.58	eV	Relay (1.0) Calculated Property
log10WS	-4.32		Relay (1.0) Calculated Property
logPoct/wat	3.856		Crippen Calculated Property
McVol	197.170	ml/mol	McGowan Calculated Property
Pc	1708.95	kPa	Joback Calculated Property
Inp	[1456.00; 1476.00]
Inp	1458.00		NIST
Inp	1476.00		NIST
Inp	1456.00		NIST
Inp	1462.00		NIST
Inp	1462.00		NIST
I	[1752.00; 1765.00]
I	1765.00		NIST
I	1752.00		NIST
I	1755.00		NIST
I	1755.00		NIST
Tboil	526.68	K	Relay (1.0) Calculated Property
Tc	708.72	K	Relay (1.0) Calculated Property
Tfus	237.08	K	Relay (1.0) Calculated Property
Vc	0.739	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[487.06; 573.58]	J/mol×K	[551.94; 720.80]
Cp,gas	487.06	J/mol×K	551.94	Joback Calculated Property
Cp,gas	503.14	J/mol×K	580.08	Joback Calculated Property
Cp,gas	518.54	J/mol×K	608.23	Joback Calculated Property
Cp,gas	533.27	J/mol×K	636.37	Joback Calculated Property
Cp,gas	547.34	J/mol×K	664.51	Joback Calculated Property
Cp,gas	560.77	J/mol×K	692.66	Joback Calculated Property
Cp,gas	573.58	J/mol×K	720.80	Joback Calculated Property
η	[0.0001612; 0.0045826]	Pa×s	[276.84; 551.94]
η	0.0045826	Pa×s	276.84	Joback Calculated Property
η	0.0017649	Pa×s	322.69	Joback Calculated Property
η	0.0008619	Pa×s	368.54	Joback Calculated Property
η	0.0004932	Pa×s	414.39	Joback Calculated Property
η	0.0003155	Pa×s	460.24	Joback Calculated Property
η	0.0002188	Pa×s	506.09	Joback Calculated Property
η	0.0001612	Pa×s	551.94	Joback Calculated Property

Similar Compounds

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

Sources

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

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