Chemical Properties of trans-3-Nonen-2-one (CAS 18402-83-0)

InChI

InChI=1S/C9H16O/c1-3-4-5-6-7-8-9(2)10/h7-8H,3-6H2,1-2H3/b8-7+

InChI Key

HDKLIZDXVUCLHQ-BQYQJAHWSA-N

Formula

C9H16O

SMILES

CCCCCC=CC(C)=O

Molecular Weight¹

140.22

CAS

18402-83-0

Other Names

• (3E)-3-Nonen-2-one
• (E)-3-Nonen-2-one
• (E)-Non-3-en-2-one

• 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).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I_p : 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	0.4668		Relay (1.0) Calculated Property
ΔfG°	-23.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-269.98	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.87	kJ/mol	Joback Calculated Property
ΔvapH°	55.82	kJ/mol	Relay (1.0) Calculated Property
IE	9.38	eV	Relay (1.0) Calculated Property
log10WS	-2.68		Relay (1.0) Calculated Property
logPoct/wat	2.712		Crippen Calculated Property
McVol	134.940	ml/mol	McGowan Calculated Property
Pc	2584.59	kPa	Joback Calculated Property
Inp	[1122.00; 1144.00]
Inp	1144.00		NIST
Inp	1122.00		NIST
Inp	1125.00		NIST
Inp	1125.00		NIST
Ip	[1523.00; 1523.00]
Ip	1523.00		NIST
Ip	1523.00		NIST
Tboil	464.61	K	Relay (1.0) Calculated Property
Tc	657.75	K	Relay (1.0) Calculated Property
Tfus	237.93	K	Relay (1.0) Calculated Property
Vc	0.505	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[183.33; 442.08]	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			-1.21160e+01
Coefficient B			8.50840e-01
Coefficient C			-5.30900e-04
Coefficient D			1.34260e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	183.33	J/mol×K	273.00	Calculated Property
Cp,gas	228.39	J/mol×K	353.78	Calculated Property
Cp,gas	268.38	J/mol×K	434.56	Calculated Property
Cp,gas	303.73	J/mol×K	515.33	Calculated Property
Cp,gas	334.86	J/mol×K	596.11	Calculated Property
Cp,gas	362.20	J/mol×K	676.89	Calculated Property
Cp,gas	386.17	J/mol×K	757.67	Calculated Property
Cp,gas	407.18	J/mol×K	838.44	Calculated Property
Cp,gas	425.68	J/mol×K	919.22	Calculated Property
Cp,gas	442.08	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0041736; 0.0002551]	Pa×s	[236.04; 452.15]	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			-1.13267e+01
Coefficient B			1.38031e+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.			236.04
Temperature range, max.			452.15
η	0.0041736	Pa×s	236.04	Calculated Property
η	0.0024323	Pa×s	260.05	Calculated Property
η	0.0015529	Pa×s	284.07	Calculated Property
η	0.0010633	Pa×s	308.08	Calculated Property
η	0.0007691	Pa×s	332.09	Calculated Property
η	0.0005811	Pa×s	356.10	Calculated Property
η	0.0004549	Pa×s	380.12	Calculated Property
η	0.0003666	Pa×s	404.13	Calculated Property
η	0.0003027	Pa×s	428.14	Calculated Property
η	0.0002551	Pa×s	452.15	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[340.22; 523.67]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.27643e+01
Coefficient B			-3.39561e+03
Coefficient C			-6.80630e+01
Temperature range, min.			340.22
Temperature range, max.			523.67
Pvap	1.33	kPa	340.22	Calculated Property
Pvap	3.18	kPa	360.60	Calculated Property
Pvap	6.77	kPa	380.99	Calculated Property
Pvap	13.15	kPa	401.37	Calculated Property
Pvap	23.66	kPa	421.75	Calculated Property
Pvap	39.92	kPa	442.14	Calculated Property
Pvap	63.82	kPa	462.52	Calculated Property
Pvap	97.42	kPa	482.90	Calculated Property
Pvap	142.93	kPa	503.29	Calculated Property
Pvap	202.64	kPa	523.67	Calculated Property

Similar Compounds

Find more compounds similar to trans-3-Nonen-2-one.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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