Chemical Properties of 3-(hydroxymethyl)nonan-2-one (CAS 67801-33-6)

InChI

InChI=1S/C10H20O2/c1-3-4-5-6-7-10(8-11)9(2)12/h10-11H,3-8H2,1-2H3

InChI Key

DIZUHEORFPDTIQ-UHFFFAOYSA-N

Formula

C10H20O2

SMILES

CCCCCCC(CO)C(C)=O

Molecular Weight¹

172.26

CAS

67801-33-6

• 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).
• 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
ΔfG°	-234.86	kJ/mol	Joback Calculated Property
ΔfH°gas	-519.82	kJ/mol	Joback Calculated Property
ΔfusH°	23.82	kJ/mol	Joback Calculated Property
ΔvapH°	60.89	kJ/mol	Joback Calculated Property
log10WS	-2.31		Crippen Calculated Property
logPoct/wat	2.154		Crippen Calculated Property
McVol	159.200	ml/mol	McGowan Calculated Property
Pc	2462.92	kPa	Joback Calculated Property
Inp	[1093.00; 1093.00]
Inp	1093.00		NIST
Inp	1093.00		NIST
Tboil	573.81	K	Joback Calculated Property
Tc	743.57	K	Joback Calculated Property
Tfus	298.21	K	Joback Calculated Property
Vc	0.615	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[403.15; 471.43]	J/mol×K	[573.81; 743.57]
Cp,gas	403.15	J/mol×K	573.81	Joback Calculated Property
Cp,gas	415.84	J/mol×K	602.10	Joback Calculated Property
Cp,gas	427.99	J/mol×K	630.40	Joback Calculated Property
Cp,gas	439.61	J/mol×K	658.69	Joback Calculated Property
Cp,gas	450.71	J/mol×K	686.99	Joback Calculated Property
Cp,gas	461.31	J/mol×K	715.28	Joback Calculated Property
Cp,gas	471.43	J/mol×K	743.57	Joback Calculated Property
η	[0.0000979; 0.0185428]	Pa×s	[298.21; 573.81]
η	0.0185428	Pa×s	298.21	Joback Calculated Property
η	0.0043186	Pa×s	344.14	Joback Calculated Property
η	0.0014176	Pa×s	390.08	Joback Calculated Property
η	0.0005884	Pa×s	436.01	Joback Calculated Property
η	0.0002888	Pa×s	481.94	Joback Calculated Property
η	0.0001605	Pa×s	527.88	Joback Calculated Property
η	0.0000979	Pa×s	573.81	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-(hydroxymethyl)nonan-2-one.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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