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 ACETATE
• DECYL ESTER
• Decanol acetate
• Decyl alcohol, acetate
• Decyl ester of acetic acid
• N-DECYL ETHANOATE
• decyl ethanoate
• n-Decyl acetate

• 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).
• 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
ΔfG°	-183.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-535.81	kJ/mol	Joback Calculated Property
ΔfusH°	29.62	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
log10WS	-3.71		Crippen Calculated Property
logPoct/wat	3.690		Crippen Calculated Property
McVol	187.380	ml/mol	McGowan Calculated Property
Pc	1851.52	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	Outlier 1419.00		NIST
Inp	1394.00		NIST
Inp	1397.00		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	1679.00		NIST
I	1691.00		NIST
I	1683.00		NIST
I	1687.00		NIST
I	1674.00		NIST
Tboil	517.15 ± 1.00	K	NIST
Tc	720.05	K	Joback Calculated Property
Tfus	297.16	K	Joback Calculated Property
Vc	0.732	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[464.17; 549.22]	J/mol×K	[550.25; 720.05]
Cp,gas	464.17	J/mol×K	550.25	Joback Calculated Property
Cp,gas	479.84	J/mol×K	578.55	Joback Calculated Property
Cp,gas	494.90	J/mol×K	606.85	Joback Calculated Property
Cp,gas	509.36	J/mol×K	635.15	Joback Calculated Property
Cp,gas	523.23	J/mol×K	663.45	Joback Calculated Property
Cp,gas	536.51	J/mol×K	691.75	Joback Calculated Property
Cp,gas	549.22	J/mol×K	720.05	Joback Calculated Property
η	[0.0001878; 0.0030867]	Pa×s	[297.16; 550.25]
η	0.0030867	Pa×s	297.16	Joback Calculated Property
η	0.0014485	Pa×s	339.34	Joback Calculated Property
η	0.0008035	Pa×s	381.52	Joback Calculated Property
η	0.0005012	Pa×s	423.70	Joback Calculated Property
η	0.0003406	Pa×s	465.89	Joback Calculated Property
η	0.0002467	Pa×s	508.07	Joback Calculated Property
η	0.0001878	Pa×s	550.25	Joback Calculated Property
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 ...
Pvap	6.60e-04	kPa	287.80	Vapour ...
Pvap	9.00e-04	kPa	290.90	Vapour ...
Pvap	1.21e-03	kPa	294.00	Vapour ...
Pvap	1.67e-03	kPa	297.00	Vapour ...
Pvap	2.28e-03	kPa	300.30	Vapour ...
Pvap	2.92e-03	kPa	303.30	Vapour ...
Pvap	3.95e-03	kPa	306.40	Vapour ...
Pvap	5.04e-03	kPa	309.40	Vapour ...
Pvap	6.66e-03	kPa	312.40	Vapour ...
Pvap	8.37e-03	kPa	315.40	Vapour ...
Pvap	0.01	kPa	318.50	Vapour ...
Pvap	0.01	kPa	321.50	Vapour ...

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[400.82; 536.54]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
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 Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.91628e+01
Coefficient B			-7.43974e+03
Coefficient C			-2.54488e-04
Coefficient D			2.79788e-10
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
• 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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