Chemical Properties of 6-Nonen-1-ol, acetate, (Z)- (CAS 76238-22-7)

InChI

InChI=1S/C11H20O2/c1-3-4-5-6-7-8-9-10-13-11(2)12/h4-5H,3,6-10H2,1-2H3/b5-4-

InChI Key

DFRXMRZQBMFKMI-PLNGDYQASA-N

Formula

C11H20O2

SMILES

CCC=CCCCCCOC(C)=O

Molecular Weight¹

184.28

CAS

76238-22-7

Other Names

• (6Z)-6-Nonenyl acetate
• (Z)-6 Nonen-1-yl acetate
• (Z)-6-Nonenyl acetate
• (Z)-Non-6-en-1-yl acetate
• (Z)-non-6-enyl acetate

• 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).
• 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	0.5585		Relay (1.0) Calculated Property
ΔfH°gas	-521.76	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.82	kJ/mol	Joback Calculated Property
ΔvapH°	65.89	kJ/mol	Relay (1.0) Calculated Property
IE	8.81	eV	Relay (1.0) Calculated Property
log10WS	-3.23		Relay (1.0) Calculated Property
logPoct/wat	3.076		Crippen Calculated Property
McVol	168.990	ml/mol	McGowan Calculated Property
Pc	2034.55	kPa	Joback Calculated Property
Inp	[1308.00; 1308.00]
Inp	1308.00		NIST
Inp	1308.00		NIST
I	[1619.00; 1634.00]
I	1634.00		NIST
I	1620.00		NIST
I	1634.00		NIST
I	1619.00		NIST
I	1619.00		NIST
Tboil	495.05	K	Relay (1.0) Calculated Property
Tc	670.89	K	Relay (1.0) Calculated Property
Tfus	220.41	K	Relay (1.0) Calculated Property
Vc	0.630	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[241.17; 564.36]	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			4.11600e+00
Coefficient B			1.01404e+00
Coefficient C			-5.63800e-04
Coefficient D			1.10000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	241.17	J/mol×K	273.00	Calculated Property
Cp,gas	297.17	J/mol×K	353.78	Calculated Property
Cp,gas	347.33	J/mol×K	434.56	Calculated Property
Cp,gas	392.01	J/mol×K	515.33	Calculated Property
Cp,gas	431.55	J/mol×K	596.11	Calculated Property
Cp,gas	466.30	J/mol×K	676.89	Calculated Property
Cp,gas	496.61	J/mol×K	757.67	Calculated Property
Cp,gas	522.82	J/mol×K	838.44	Calculated Property
Cp,gas	545.29	J/mol×K	919.22	Calculated Property
Cp,gas	564.36	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0052704; 0.0001999]	Pa×s	[250.98; 482.30]	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			-1.20675e+01
Coefficient B			1.71216e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			250.98
Temperature range, max.			482.30
η	0.0052704	Pa×s	250.98	Calculated Property
η	0.0027966	Pa×s	276.68	Calculated Property
η	0.0016527	Pa×s	302.38	Calculated Property
η	0.0010606	Pa×s	328.09	Calculated Property
η	0.0007259	Pa×s	353.79	Calculated Property
η	0.0005231	Pa×s	379.49	Calculated Property
η	0.0003929	Pa×s	405.19	Calculated Property
η	0.0003054	Pa×s	430.89	Calculated Property
η	0.0002442	Pa×s	456.60	Calculated Property
η	0.0001999	Pa×s	482.30	Calculated Property

Similar Compounds

Find more compounds similar to 6-Nonen-1-ol, acetate, (Z)-.

Sources

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

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