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

• 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).
• 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 : 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
ΔfG°	-23.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-224.45	kJ/mol	Joback Calculated Property
ΔfusH°	20.87	kJ/mol	Joback Calculated Property
ΔvapH°	42.33	kJ/mol	Joback Calculated Property
log10WS	-2.72		Crippen 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
I	1523.00		NIST
Tboil	463.35	K	Joback Calculated Property
Tc	645.65	K	Joback Calculated Property
Tfus	236.04	K	Joback Calculated Property
Vc	0.525	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[281.50; 352.05]	J/mol×K	[463.35; 645.65]
Cp,gas	281.50	J/mol×K	463.35	Joback Calculated Property
Cp,gas	294.71	J/mol×K	493.73	Joback Calculated Property
Cp,gas	307.32	J/mol×K	524.12	Joback Calculated Property
Cp,gas	319.33	J/mol×K	554.50	Joback Calculated Property
Cp,gas	330.78	J/mol×K	584.89	Joback Calculated Property
Cp,gas	341.68	J/mol×K	615.27	Joback Calculated Property
Cp,gas	352.05	J/mol×K	645.65	Joback Calculated Property
η	[0.0002369; 0.0041736]	Pa×s	[236.04; 463.35]
η	0.0041736	Pa×s	236.04	Joback Calculated Property
η	0.0018590	Pa×s	273.93	Joback Calculated Property
η	0.0010078	Pa×s	311.81	Joback Calculated Property
η	0.0006239	Pa×s	349.69	Joback Calculated Property
η	0.0004242	Pa×s	387.58	Joback Calculated Property
η	0.0003089	Pa×s	425.47	Joback Calculated Property
η	0.0002369	Pa×s	463.35	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[340.22; 523.67]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
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

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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