Chemical Properties of trans,cis-2,6-Nonadien-1-ol (CAS 28069-72-9)

InChI

InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h3-4,7-8,10H,2,5-6,9H2,1H3/b4-3-,8-7+

InChI Key

AMXYRHBJZOVHOL-ODYTWBPASA-N

Formula

C9H16O

SMILES

CCC=CCCC=CCO

Molecular Weight¹

140.22

CAS

28069-72-9

Other Names

• (2E,6Z)-2,6-Nonadien-1-ol
• (2E,6Z)-nona-2,6-dien-1-ol
• (E,Z)-2,6-Nonadien-1-ol
• (E,Z)-2,6-Nonadienol
• (E,Z)-Nona-2,6-dienol
• 2,6-Nonadien-1-ol, (2E,6Z)-
• 2,6-Nonadien-1-ol, (E,Z)-
• 2,6-Nonadienol, trans,cis-
• 2-trans-6-cis-Nonadien-1-ol
• Nona-2,6(E,Z)-dienol
• Nonadienol
• trans-2,cis-6-Nonadienol
• trans-2-cis-6-Nonadien-1-ol

• 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).
• 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	0.5808		Relay (1.0) Calculated Property
ΔfG°	48.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-252.10	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.56	kJ/mol	Joback Calculated Property
ΔvapH°	78.62	kJ/mol	Relay (1.0) Calculated Property
IE	8.82	eV	Relay (1.0) Calculated Property
logPoct/wat	2.281		Crippen Calculated Property
McVol	134.940	ml/mol	McGowan Calculated Property
Pc	2811.36	kPa	Joback Calculated Property
Inp	[1143.00; 1173.00]
Inp	1170.00		NIST
Inp	1160.00		NIST
Inp	1169.00		NIST
Inp	1171.00		NIST
Inp	1173.00		NIST
Inp	1167.00		NIST
Inp	1168.00		NIST
Inp	1168.00		NIST
Inp	Outlier 1143.00		NIST
Inp	1170.00		NIST
Inp	1153.00		NIST
Inp	1168.00		NIST
I	[1750.00; 1794.00]
I	1766.00		NIST
I	1766.00		NIST
I	1784.00		NIST
I	1794.00		NIST
I	1759.00		NIST
I	1750.00		NIST
I	1754.00		NIST
I	1754.00		NIST
I	1776.00		NIST
I	1793.00		NIST
I	1750.00		NIST
I	1759.00		NIST
Tboil	480.59	K	Relay (1.0) Calculated Property
Tc	670.69	K	Relay (1.0) Calculated Property
Tfus	239.43	K	Relay (1.0) Calculated Property
Vc	0.476	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Log10 of Water solubility in mol/l 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	[180.90; 441.15]	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			-2.83660e+01
Coefficient B			9.32820e-01
Coefficient C			-6.63800e-04
Coefficient D			2.00500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	180.90	J/mol×K	273.00	Calculated Property
Cp,gas	227.44	J/mol×K	353.78	Calculated Property
Cp,gas	268.10	J/mol×K	434.56	Calculated Property
Cp,gas	303.50	J/mol×K	515.33	Calculated Property
Cp,gas	334.29	J/mol×K	596.11	Calculated Property
Cp,gas	361.09	J/mol×K	676.89	Calculated Property
Cp,gas	384.55	J/mol×K	757.67	Calculated Property
Cp,gas	405.29	J/mol×K	838.44	Calculated Property
Cp,gas	423.94	J/mol×K	919.22	Calculated Property
Cp,gas	441.15	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0451627; 0.0001444]	Pa×s	[241.85; 475.16]	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			-1.47987e+01
Coefficient B			2.82995e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			241.85
Temperature range, max.			475.16
η	0.0451627	Pa×s	241.85	Calculated Property
η	0.0145482	Pa×s	267.77	Calculated Property
η	0.0057238	Pa×s	293.70	Calculated Property
η	0.0026199	Pa×s	319.62	Calculated Property
η	0.0013483	Pa×s	345.54	Calculated Property
η	0.0007613	Pa×s	371.47	Calculated Property
η	0.0004632	Pa×s	397.39	Calculated Property
η	0.0002995	Pa×s	423.31	Calculated Property
η	0.0002036	Pa×s	449.24	Calculated Property
η	0.0001444	Pa×s	475.16	Calculated Property

Similar Compounds

Find more compounds similar to trans,cis-2,6-Nonadien-1-ol.

Sources

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

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