Chemical Properties of 9-Decen-1-yl acetate (CAS 50816-18-7)

InChI

InChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h3H,1,4-11H2,2H3

InChI Key

PIQXMYAEJSMANF-UHFFFAOYSA-N

Formula

C12H22O2

SMILES

C=CCCCCCCCCOC(C)=O

Molecular Weight¹

198.30

CAS

50816-18-7

Other Names

• Acetic acid 9-decenyl ester
• 9-Decen-1-ol, acetate
• Decenyl acetate
• 9-Decenyl acetate

• 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	0.6398		Relay (1.0) Calculated Property
ΔfG°	-172.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-504.85	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	29.93	kJ/mol	Joback Calculated Property
ΔvapH°	70.99	kJ/mol	Relay (1.0) Calculated Property
IE	9.29	eV	Relay (1.0) Calculated Property
log10WS	-3.86		Relay (1.0) Calculated Property
logPoct/wat	3.466		Crippen Calculated Property
McVol	183.080	ml/mol	McGowan Calculated Property
Pc	1853.11	kPa	Joback Calculated Property
Inp	[1359.00; 1431.00]
Inp	1383.00		NIST
Inp	1378.60		NIST
Inp	1359.00		NIST
Inp	1399.30		NIST
Inp	Outlier 1431.00		NIST
Inp	1383.00		NIST
Inp	1359.00		NIST
I	[1722.00; 1755.00]
I	1755.00		NIST
I	1722.00		NIST
I	1755.00		NIST
Tboil	518.36	K	Relay (1.0) Calculated Property
Tc	696.37	K	Relay (1.0) Calculated Property
Tfus	253.36	K	Relay (1.0) Calculated Property
Vc	0.690	m3/kmol	Relay (1.0) Calculated Property

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

Similar Compounds

Find more compounds similar to 9-Decen-1-yl acetate.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
These property values are available through the Cheméo API. A free account gives you an access key.