Chemical Properties of Vinyl decanoate (CAS 4704-31-8)

InChI

InChI=1S/C12H22O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h4H,2-3,5-11H2,1H3

InChI Key

CMDXMIHZUJPRHG-UHFFFAOYSA-N

Formula

C12H22O2

SMILES

C=COC(=O)CCCCCCCCC

Molecular Weight¹

198.30

CAS

4704-31-8

Other Names

• Decanoic acid, ethenyl ester
• Decanoic acid, vinyl ester
• n-Capric acid vinyl ester

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• P_vap : Vapor pressure (kPa).
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.7178		Relay (1.0) Calculated Property
ΔfH°gas	-496.94	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	29.93	kJ/mol	Joback Calculated Property
ΔvapH°	66.25	kJ/mol	Relay (1.0) Calculated Property
IE	9.34	eV	Relay (1.0) Calculated Property
log10WS	-4.20		Relay (1.0) Calculated Property
logPoct/wat	3.814		Crippen Calculated Property
McVol	183.080	ml/mol	McGowan Calculated Property
Pc	1853.11	kPa	Joback Calculated Property
Ip	[1812.00; 1812.00]
Ip	1812.00		NIST
Ip	1812.00		NIST
Tboil	501.13	K	Relay (1.0) Calculated Property
Tc	683.84	K	Relay (1.0) Calculated Property
Tfus	242.82	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[266.58; 618.02]	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			1.43980e+01
Coefficient B			1.06902e+00
Coefficient C			-5.57300e-04
Coefficient D			9.19000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	266.58	J/mol×K	273.00	Calculated Property
Cp,gas	326.91	J/mol×K	353.78	Calculated Property
Cp,gas	381.25	J/mol×K	434.56	Calculated Property
Cp,gas	429.88	J/mol×K	515.33	Calculated Property
Cp,gas	473.08	J/mol×K	596.11	Calculated Property
Cp,gas	511.16	J/mol×K	676.89	Calculated Property
Cp,gas	544.41	J/mol×K	757.67	Calculated Property
Cp,gas	573.10	J/mol×K	838.44	Calculated Property
Cp,gas	597.54	J/mol×K	919.22	Calculated Property
Cp,gas	618.02	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0048712; 0.0002332]	Pa×s	[265.57; 489.33]	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			-1.19702e+01
Coefficient B			1.76492e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			265.57
Temperature range, max.			489.33
η	0.0048712	Pa×s	265.57	Calculated Property
η	0.0027578	Pa×s	290.43	Calculated Property
η	0.0017079	Pa×s	315.30	Calculated Property
η	0.0011344	Pa×s	340.16	Calculated Property
η	0.0007967	Pa×s	365.02	Calculated Property
η	0.0005853	Pa×s	389.88	Calculated Property
η	0.0004462	Pa×s	414.75	Calculated Property
η	0.0003508	Pa×s	439.61	Calculated Property
η	0.0002829	Pa×s	464.47	Calculated Property
η	0.0002332	Pa×s	489.33	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[386.85; 551.31]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.46081e+01
Coefficient B			-4.35803e+03
Coefficient C			-8.25320e+01
Temperature range, min.			386.85
Temperature range, max.			551.31
Pvap	1.33	kPa	386.85	Calculated Property
Pvap	3.00	kPa	405.12	Calculated Property
Pvap	6.19	kPa	423.40	Calculated Property
Pvap	11.86	kPa	441.67	Calculated Property
Pvap	21.35	kPa	459.94	Calculated Property
Pvap	36.39	kPa	478.22	Calculated Property
Pvap	59.17	kPa	496.49	Calculated Property
Pvap	92.34	kPa	514.76	Calculated Property
Pvap	138.99	kPa	533.04	Calculated Property
Pvap	202.65	kPa	551.31	Calculated Property

Similar Compounds

Find more compounds similar to Vinyl decanoate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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