Chemical Properties of 3,6-Nonadien-1-ol, (E,Z)- (CAS 56805-23-3)

InChI

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

InChI Key

PICGPEBVZGCYBV-FZWLCVONSA-N

Formula

C9H16O

SMILES

CCC=CCC=CCCO

Molecular Weight¹

140.22

CAS

56805-23-3

Other Names

• (3E,6E)-3,6-Nonadien-1-ol
• 3,6-(E,Z)-Nonadien-1-ol
• (E,Z)-3,6-Nonadien-1-ol
• (E,Z)-3,6-Nonadienol
• trans,cis-3,6-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	0.5707		Relay (1.0) Calculated Property
ΔfG°	48.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-237.36	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.56	kJ/mol	Joback Calculated Property
ΔvapH°	76.24	kJ/mol	Relay (1.0) Calculated Property
IE	8.89	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	1156.10		NIST
I	[1731.00; 1764.00]
I	1731.00		NIST
I	1731.00		NIST
I	1762.00		NIST
I	1764.00		NIST
I	1762.00		NIST
Tboil	482.74	K	Relay (1.0) Calculated Property
Tc	669.68	K	Relay (1.0) Calculated Property
Tfus	235.89	K	Relay (1.0) Calculated Property
Vc	0.472	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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[299.67; 361.68]	J/mol×K	[506.02; 678.80]
Cp,gas	299.67	J/mol×K	506.02	Joback Calculated Property
Cp,gas	311.33	J/mol×K	534.82	Joback Calculated Property
Cp,gas	322.42	J/mol×K	563.61	Joback Calculated Property
Cp,gas	332.97	J/mol×K	592.41	Joback Calculated Property
Cp,gas	343.01	J/mol×K	621.21	Joback Calculated Property
Cp,gas	352.57	J/mol×K	650.00	Joback Calculated Property
Cp,gas	361.68	J/mol×K	678.80	Joback Calculated Property
η	[0.0001004; 0.0451627]	Pa×s	[241.85; 506.02]
η	0.0451627	Pa×s	241.85	Joback Calculated Property
η	0.0074495	Pa×s	285.88	Joback Calculated Property
η	0.0019878	Pa×s	329.91	Joback Calculated Property
η	0.0007240	Pa×s	373.93	Joback Calculated Property
η	0.0003262	Pa×s	417.96	Joback Calculated Property
η	0.0001711	Pa×s	461.99	Joback Calculated Property
η	0.0001004	Pa×s	506.02	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3,6-Nonadien-1-ol, (E,Z)-.

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.
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