Chemical Properties of 4-Nonanone (CAS 4485-09-0)

InChI

InChI=1S/C9H18O/c1-3-5-6-8-9(10)7-4-2/h3-8H2,1-2H3

InChI Key

TYBCSQFBSWACAA-UHFFFAOYSA-N

Formula

C9H18O

SMILES

CCCCCC(=O)CCC

Molecular Weight¹

142.24

CAS

4485-09-0

Other Names

• Nonan-4-one
• Propyl amyl ketone

• 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).
• ρ_c : Critical density (kg/m³).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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	0.5134		Relay (1.0) Calculated Property
ΔfG°	-104.02	kJ/mol	Joback Calculated Property
ΔfH°gas	-354.12	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.66	kJ/mol	Joback Calculated Property
ΔvapH°	50.84	kJ/mol	Relay (1.0) Calculated Property
IE	9.07	eV	Relay (1.0) Calculated Property
log10WS	-2.65		Relay (1.0) Calculated Property
logPoct/wat	2.936		Crippen Calculated Property
McVol	139.240	ml/mol	McGowan Calculated Property
Pc	2453.17	kPa	Joback Calculated Property
ρc	254.61 ± 2.84	kg/m3	NIST
Inp	[1030.00; 1053.00]
Inp	1030.00		NIST
Inp	1030.00		NIST
Inp	1053.00		NIST
Ip	[1322.00; 1390.00]
Ip	1356.50		NIST
Ip	1390.00		NIST
Ip	1322.00		NIST
Ip	1322.00		NIST
Tboil	[460.70; 461.00]	K
Tboil	460.70	K	NIST
Tboil	461.00 ± 4.00	K	NIST
Tc	[643.70; 643.70]	K
Tc	643.70	K	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value
Tc	643.70 ± 0.30	K	NIST
Tfus	267.62	K	Relay (1.0) Calculated Property
Vc	0.560	m3/kmol	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[197.33; 472.67]	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			2.06600e+00
Coefficient B			8.30840e-01
Coefficient C			-4.47100e-04
Coefficient D			8.68600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	197.33	J/mol×K	273.00	Calculated Property
Cp,gas	243.89	J/mol×K	353.78	Calculated Property
Cp,gas	285.81	J/mol×K	434.56	Calculated Property
Cp,gas	323.38	J/mol×K	515.33	Calculated Property
Cp,gas	356.86	J/mol×K	596.11	Calculated Property
Cp,gas	386.54	J/mol×K	676.89	Calculated Property
Cp,gas	412.68	J/mol×K	757.67	Calculated Property
Cp,gas	435.57	J/mol×K	838.44	Calculated Property
Cp,gas	455.47	J/mol×K	919.22	Calculated Property
Cp,gas	472.67	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0045015; 0.0003004]	Pa×s	[241.12; 450.59]	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			-1.12265e+01
Coefficient B			1.40407e+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.			241.12
Temperature range, max.			450.59
η	0.0045015	Pa×s	241.12	Calculated Property
η	0.0026961	Pa×s	264.39	Calculated Property
η	0.0017544	Pa×s	287.67	Calculated Property
η	0.0012175	Pa×s	310.94	Calculated Property
η	0.0008890	Pa×s	334.22	Calculated Property
η	0.0006763	Pa×s	357.49	Calculated Property
η	0.0005319	Pa×s	380.77	Calculated Property
η	0.0004301	Pa×s	404.04	Calculated Property
η	0.0003560	Pa×s	427.32	Calculated Property
η	0.0003004	Pa×s	450.59	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[346.02; 488.50]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.50716e+01
Coefficient B			-4.09236e+03
Coefficient C			-6.92110e+01
Temperature range, min.			346.02
Temperature range, max.			488.50
Pvap	1.33	kPa	346.02	Calculated Property
Pvap	2.97	kPa	361.85	Calculated Property
Pvap	6.08	kPa	377.68	Calculated Property
Pvap	11.62	kPa	393.51	Calculated Property
Pvap	20.91	kPa	409.34	Calculated Property
Pvap	35.70	kPa	425.18	Calculated Property
Pvap	58.24	kPa	441.01	Calculated Property
Pvap	91.30	kPa	456.84	Calculated Property
Pvap	138.16	kPa	472.67	Calculated Property
Pvap	202.63	kPa	488.50	Calculated Property

Similar Compounds

Find more compounds similar to 4-Nonanone.

Sources

• IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 ChEDL chemicals 1.5.2, from Kudchadker, A. P.; Ambrose, D.; Tsonopoulos, C. Vapor-Liquid Critical Properties of Elements and Compounds. 7. Oxygen Compounds Other Than Alkanols and Cycloalkanols. J. Chem. Eng. Data 2001, 46, 457-479.
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
These property values are available through the Cheméo API. A free account gives you an access key.