Chemical Properties of Acetic acid, decyl ester (CAS 112-17-4)

InChI

InChI=1S/C12H24O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h3-11H2,1-2H3

InChI Key

NUPSHWCALHZGOV-UHFFFAOYSA-N

Formula

C12H24O2

SMILES

CCCCCCCCCCOC(C)=O

Molecular Weight¹

200.32

CAS

112-17-4

Other Names

• 1-Decanol acetate
• ACETIC ACID
• Acetate C 10
• Acetic acid, n-decyl ester
• DECYL ESTER
• Decanol acetate
• Decyl alcohol, acetate
• Decyl ester of acetic acid
• decyl acetate
• decyl ethanoate
• n-Decyl acetate
• n-Decyl ethanoate

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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_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	0.6833		Relay (1.0) Calculated Property
ΔfG°	-260.21	kJ/mol	Joback Calculated Property
ΔfH°gas	-619.95	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.21	kJ/mol	Joback Calculated Property
ΔvapH°	[70.20; 71.60]	kJ/mol
ΔvapH°	70.20 ± 0.30	kJ/mol	NIST
ΔvapH°	71.60	kJ/mol	NIST
IE	9.58	eV	Relay (1.0) Calculated Property
log10WS	-4.27		Relay (1.0) Calculated Property
logPoct/wat	3.690		Crippen Calculated Property
McVol	187.380	ml/mol	McGowan Calculated Property
Pc	1787.88	kPa	Joback Calculated Property
Inp	[1384.00; 1419.00]
Inp	1389.27		NIST
Inp	1410.32		NIST
Inp	1391.00		NIST
Inp	1391.30		NIST
Inp	1393.00		NIST
Inp	1393.00		NIST
Inp	1389.00		NIST
Inp	1384.00		NIST
Inp	1389.20		NIST
Inp	1399.00		NIST
Inp	1385.00		NIST
Inp	Outlier 1419.00		NIST
Inp	1417.00		NIST
Inp	1394.00		NIST
Inp	1409.00		NIST
Inp	1409.00		NIST
Inp	1395.00		NIST
Inp	1408.00		NIST
Inp	1404.00		NIST
Inp	1394.00		NIST
Inp	1408.00		NIST
Inp	1404.00		NIST
Inp	1408.00		NIST
Inp	1408.00		NIST
Inp	1397.00		NIST
Inp	1410.00		NIST
Inp	1409.00		NIST
Inp	1404.00		NIST
Inp	1408.00		NIST
Inp	1393.00		NIST
Inp	1394.00		NIST
Inp	1395.00		NIST
Inp	1409.00		NIST
Inp	1409.00		NIST
Inp	1393.00		NIST
Inp	1406.00		NIST
Inp	1408.00		NIST
Inp	1389.00		NIST
Inp	1390.00		NIST
Inp	1410.00		NIST
Inp	1391.00		NIST
Inp	1409.00		NIST
Inp	1398.00		NIST
Inp	1398.00		NIST
Inp	1393.00		NIST
Inp	1392.00		NIST
Inp	1389.00		NIST
Inp	1391.00		NIST
Inp	1393.00		NIST
Inp	1394.00		NIST
Inp	1412.00		NIST
Inp	1391.00		NIST
Inp	1392.00		NIST
Inp	1393.00		NIST
Inp	1393.00		NIST
Inp	1394.00		NIST
Inp	1403.00		NIST
Inp	1400.00		NIST
Inp	1414.00		NIST
Inp	1411.00		NIST
Inp	Outlier 1418.00		NIST
Inp	1408.00		NIST
Inp	1406.00		NIST
Inp	1393.00		NIST
Inp	1393.00		NIST
Inp	1394.00		NIST
Inp	1395.00		NIST
Inp	1400.00		NIST
Inp	1389.27		NIST
Inp	1393.00		NIST
Inp	1385.00		NIST
Inp	1409.00		NIST
Inp	1394.00		NIST
Inp	1397.00		NIST
Inp	Outlier 1419.00		NIST
I	[1662.00; 1713.00]
I	1700.00		NIST
I	1688.00		NIST
I	1699.00		NIST
I	1691.00		NIST
I	1688.00		NIST
I	Outlier 1713.00		NIST
I	1674.00		NIST
I	1679.00		NIST
I	1670.00		NIST
I	1691.00		NIST
I	1662.00		NIST
I	1692.00		NIST
I	1691.00		NIST
I	1662.00		NIST
I	1683.00		NIST
I	1690.00		NIST
I	1662.00		NIST
I	1676.00		NIST
I	1674.00		NIST
I	1677.00		NIST
I	1687.00		NIST
I	1691.00		NIST
I	1678.00		NIST
I	1677.00		NIST
I	1680.00		NIST
I	1693.00		NIST
I	1692.00		NIST
I	1671.00		NIST
I	1669.00		NIST
I	1669.00		NIST
I	1670.00		NIST
I	1687.00		NIST
I	1687.00		NIST
I	1662.00		NIST
I	1687.00		NIST
I	1662.00		NIST
I	1674.00		NIST
I	1687.00		NIST
I	1674.00		NIST
I	1691.00		NIST
I	1683.00		NIST
I	1679.00		NIST
Tboil	517.15 ± 1.00	K	NIST
Tc	689.15	K	Relay (1.0) Calculated Property
Tfus	257.48	K	Relay (1.0) Calculated Property
Vc	0.736	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[56.30; 72.00]	kJ/mol	[306.00; 487.50]
ΔvapH	72.00	kJ/mol	306.00	NIST
ΔvapH	61.90	kJ/mol	439.00	NIST
ΔvapH	56.30	kJ/mol	487.50	NIST
Pvap	[4.80e-04; 0.01]	kPa	[284.80; 321.50]
Pvap	4.80e-04	kPa	284.80	Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl acetates
Pvap	6.60e-04	kPa	287.80	Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl acetates
Pvap	9.00e-04	kPa	290.90	Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl acetates
Pvap	1.21e-03	kPa	294.00	Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl acetates
Pvap	1.67e-03	kPa	297.00	Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl acetates
Pvap	2.28e-03	kPa	300.30	Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl acetates
Pvap	2.92e-03	kPa	303.30	Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl acetates
Pvap	3.95e-03	kPa	306.40	Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl acetates
Pvap	5.04e-03	kPa	309.40	Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl acetates
Pvap	6.66e-03	kPa	312.40	Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl acetates
Pvap	8.37e-03	kPa	315.40	Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl acetates
Pvap	0.01	kPa	318.50	Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl acetates
Pvap	0.01	kPa	321.50	Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl acetates

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[276.38; 646.53]	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			1.73890e+01
Coefficient B			1.08904e+00
Coefficient C			-5.34400e-04
Coefficient D			7.45000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	276.38	J/mol×K	273.00	Calculated Property
Cp,gas	339.08	J/mol×K	353.78	Calculated Property
Cp,gas	395.84	J/mol×K	434.56	Calculated Property
Cp,gas	446.88	J/mol×K	515.33	Calculated Property
Cp,gas	492.46	J/mol×K	596.11	Calculated Property
Cp,gas	532.80	J/mol×K	676.89	Calculated Property
Cp,gas	568.14	J/mol×K	757.67	Calculated Property
Cp,gas	598.72	J/mol×K	838.44	Calculated Property
Cp,gas	624.77	J/mol×K	919.22	Calculated Property
Cp,gas	646.53	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0052407; 0.0002341]	Pa×s	[267.33; 489.67]	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			-1.20971e+01
Coefficient B			1.83008e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			267.33
Temperature range, max.			489.67
η	0.0052407	Pa×s	267.33	Calculated Property
η	0.0029369	Pa×s	292.03	Calculated Property
η	0.0018014	Pa×s	316.74	Calculated Property
η	0.0011859	Pa×s	341.44	Calculated Property
η	0.0008261	Pa×s	366.15	Calculated Property
η	0.0006023	Pa×s	390.85	Calculated Property
η	0.0004560	Pa×s	415.55	Calculated Property
η	0.0003561	Pa×s	440.26	Calculated Property
η	0.0002856	Pa×s	464.96	Calculated Property
η	0.0002341	Pa×s	489.67	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[400.82; 536.54]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.69025e+01
Coefficient B			-5.20250e+03
Coefficient C			-8.76980e+01
Temperature range, min.			400.82
Temperature range, max.			536.54
Pvap	1.33	kPa	400.82	Calculated Property
Pvap	2.86	kPa	415.90	Calculated Property
Pvap	5.74	kPa	430.98	Calculated Property
Pvap	10.86	kPa	446.06	Calculated Property
Pvap	19.52	kPa	461.14	Calculated Property
Pvap	33.52	kPa	476.22	Calculated Property
Pvap	55.28	kPa	491.30	Calculated Property
Pvap	87.94	kPa	506.38	Calculated Property
Pvap	135.45	kPa	521.46	Calculated Property
Pvap	202.67	kPa	536.54	Calculated Property
Pvap	[0.27; 13.43]	kPa	[363.15; 449.15]	KDB Vapor Pressure Data
Equation			ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K
Coefficient A			1.91628e+01
Coefficient B			-7.43974e+03
Coefficient C			-2.54488e-04
Coefficient D			2.79788e-10
Coefficient E			0.00000e+00
Temperature range, min.			363.15
Temperature range, max.			449.15
Pvap	0.27	kPa	363.15	Calculated Property
Pvap	0.45	kPa	372.71	Calculated Property
Pvap	0.74	kPa	382.26	Calculated Property
Pvap	1.19	kPa	391.82	Calculated Property
Pvap	1.87	kPa	401.37	Calculated Property
Pvap	2.88	kPa	410.93	Calculated Property
Pvap	4.34	kPa	420.48	Calculated Property
Pvap	6.43	kPa	430.04	Calculated Property
Pvap	9.37	kPa	439.59	Calculated Property
Pvap	13.43	kPa	449.15	Calculated Property

Similar Compounds

Find more compounds similar to Acetic acid, decyl ester.

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl acetates
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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