Chemical Properties of (R,S)-5-Ethyl-6-methyl-3E-hepten-2-one (CAS 57283-79-1)

InChI

InChI=1S/C10H18O/c1-5-10(8(2)3)7-6-9(4)11/h6-8,10H,5H2,1-4H3/b7-6+

InChI Key

BCYUENXUQILNAA-VOTSOKGWSA-N

Formula

C10H18O

SMILES

CCC(C=CC(C)=O)C(C)C

Molecular Weight¹

154.25

CAS

57283-79-1

• 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).
• I_np : Non-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	0.4094		Relay (1.0) Calculated Property
ΔfG°	-20.26	kJ/mol	Joback Calculated Property
ΔfH°gas	-292.48	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.41	kJ/mol	Joback Calculated Property
ΔvapH°	56.43	kJ/mol	Relay (1.0) Calculated Property
IE	9.23	eV	Relay (1.0) Calculated Property
log10WS	-2.74		Relay (1.0) Calculated Property
logPoct/wat	2.814		Crippen Calculated Property
McVol	149.030	ml/mol	McGowan Calculated Property
Pc	2386.52	kPa	Joback Calculated Property
Inp	[1124.30; 1143.90]
Inp	1143.90		NIST
Inp	1124.30		NIST
Inp	1143.90		NIST
Tboil	466.69	K	Relay (1.0) Calculated Property
Tc	648.72	K	Relay (1.0) Calculated Property
Tfus	250.96	K	Relay (1.0) Calculated Property
Vc	0.511	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[325.63; 404.66]	J/mol×K	[485.35; 673.78]
Cp,gas	325.63	J/mol×K	485.35	Joback Calculated Property
Cp,gas	340.52	J/mol×K	516.76	Joback Calculated Property
Cp,gas	354.69	J/mol×K	548.16	Joback Calculated Property
Cp,gas	368.16	J/mol×K	579.57	Joback Calculated Property
Cp,gas	380.96	J/mol×K	610.97	Joback Calculated Property
Cp,gas	393.12	J/mol×K	642.38	Joback Calculated Property
Cp,gas	404.66	J/mol×K	673.78	Joback Calculated Property
η	[0.0002025; 0.0104075]	Pa×s	[217.31; 485.35]
η	0.0104075	Pa×s	217.31	Joback Calculated Property
η	0.0030838	Pa×s	261.98	Joback Calculated Property
η	0.0013024	Pa×s	306.66	Joback Calculated Property
η	0.0006849	Pa×s	351.33	Joback Calculated Property
η	0.0004163	Pa×s	396.00	Joback Calculated Property
η	0.0002800	Pa×s	440.68	Joback Calculated Property
η	0.0002025	Pa×s	485.35	Joback Calculated Property

Similar Compounds

Find more compounds similar to (R,S)-5-Ethyl-6-methyl-3E-hepten-2-one.

Sources

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

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