Chemical Properties of 3-Methyl-4-octanone (CAS 20754-04-5)

InChI

InChI=1S/C9H18O/c1-4-6-7-9(10)8(3)5-2/h8H,4-7H2,1-3H3

InChI Key

NXTOCVYXABBSGX-UHFFFAOYSA-N

Formula

C9H18O

SMILES

CCCCC(=O)C(C)CC

Molecular Weight¹

142.24

CAS

20754-04-5

• 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 : 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°	-106.46	kJ/mol	Joback Calculated Property
ΔfH°gas	-346.95	kJ/mol	Joback Calculated Property
ΔfusH°	17.14	kJ/mol	Joback Calculated Property
ΔvapH°	41.99	kJ/mol	Joback Calculated Property
log10WS	-2.63		Crippen Calculated Property
logPoct/wat	2.792		Crippen Calculated Property
McVol	139.240	ml/mol	McGowan Calculated Property
Pc	2472.73	kPa	Joback Calculated Property
I	[1968.00; 1968.00]
I	1968.00		NIST
I	1968.00		NIST
Tboil	447.00 ± 4.00	K	NIST
Tc	636.64	K	Joback Calculated Property
Tfus	226.12	K	Joback Calculated Property
Vc	0.539	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[297.82; 372.87]	J/mol×K	[458.75; 636.64]
Cp,gas	297.82	J/mol×K	458.75	Joback Calculated Property
Cp,gas	311.71	J/mol×K	488.40	Joback Calculated Property
Cp,gas	325.02	J/mol×K	518.05	Joback Calculated Property
Cp,gas	337.78	J/mol×K	547.69	Joback Calculated Property
Cp,gas	350.00	J/mol×K	577.34	Joback Calculated Property
Cp,gas	361.70	J/mol×K	606.99	Joback Calculated Property
Cp,gas	372.87	J/mol×K	636.64	Joback Calculated Property
η	[0.0002699; 0.0068479]	Pa×s	[226.12; 458.75]
η	0.0068479	Pa×s	226.12	Joback Calculated Property
η	0.0026929	Pa×s	264.89	Joback Calculated Property
η	0.0013439	Pa×s	303.66	Joback Calculated Property
η	0.0007850	Pa×s	342.44	Joback Calculated Property
η	0.0005116	Pa×s	381.21	Joback Calculated Property
η	0.0003608	Pa×s	419.98	Joback Calculated Property
η	0.0002699	Pa×s	458.75	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[335.22; 474.10]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.50698e+01
Coefficient B			-3.98769e+03
Coefficient C			-6.54580e+01
Temperature range, min.			335.22
Temperature range, max.			474.10
Pvap	1.33	kPa	335.22	Calculated Property
Pvap	2.97	kPa	350.65	Calculated Property
Pvap	6.08	kPa	366.08	Calculated Property
Pvap	11.62	kPa	381.51	Calculated Property
Pvap	20.91	kPa	396.94	Calculated Property
Pvap	35.70	kPa	412.38	Calculated Property
Pvap	58.25	kPa	427.81	Calculated Property
Pvap	91.31	kPa	443.24	Calculated Property
Pvap	138.17	kPa	458.67	Calculated Property
Pvap	202.64	kPa	474.10	Calculated Property

Similar Compounds

Find more compounds similar to 3-Methyl-4-octanone.

Sources

• 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.