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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[287.79; 669.61]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.34890e+01
Coefficient B			1.16402e+00
Coefficient C			-6.11700e-04
Coefficient D			1.03800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	287.79	J/mol×K	273.00	Calculated Property
Cp,gas	353.33	J/mol×K	353.78	Calculated Property
Cp,gas	412.33	J/mol×K	434.56	Calculated Property
Cp,gas	465.10	J/mol×K	515.33	Calculated Property
Cp,gas	512.00	J/mol×K	596.11	Calculated Property
Cp,gas	553.33	J/mol×K	676.89	Calculated Property
Cp,gas	589.42	J/mol×K	757.67	Calculated Property
Cp,gas	620.62	J/mol×K	838.44	Calculated Property
Cp,gas	647.24	J/mol×K	919.22	Calculated Property
Cp,gas	669.61	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0045826; 0.0002212]	Pa×s	[276.84; 504.56]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.21008e+01
Coefficient B			1.85908e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			276.84
Temperature range, max.			504.56
η	0.0045826	Pa×s	276.84	Calculated Property
η	0.0026114	Pa×s	302.14	Calculated Property
η	0.0016233	Pa×s	327.44	Calculated Property
η	0.0010803	Pa×s	352.75	Calculated Property
η	0.0007592	Pa×s	378.05	Calculated Property
η	0.0005577	Pa×s	403.35	Calculated Property
η	0.0004248	Pa×s	428.65	Calculated Property
η	0.0003336	Pa×s	453.96	Calculated Property
η	0.0002687	Pa×s	479.26	Calculated Property
η	0.0002212	Pa×s	504.56	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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