Chemical Properties of 3,5,5-Trimethylhexanoyl chloride

InChI

InChI=1S/C9H17ClO/c1-7(5-8(10)11)6-9(2,3)4/h7H,5-6H2,1-4H3

InChI Key

GEKPNPPFAYJZRD-UHFFFAOYSA-N

Formula

C9H17ClO

SMILES

CC(CC(=O)Cl)CC(C)(C)C

Molecular Weight¹

176.69

Other Names

• 3,5,5-Trimethylhexanoyl chloride

• 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).
• 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	0.4194		Relay (1.0) Calculated Property
ΔfG°	-115.55	kJ/mol	Joback Calculated Property
ΔfH°gas	-429.83	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.93	kJ/mol	Joback Calculated Property
ΔvapH°	46.78	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	3.214		Crippen Calculated Property
McVol	151.480	ml/mol	McGowan Calculated Property
Pc	2429.05	kPa	Joback Calculated Property
Inp	[1063.00; 1063.00]
Inp	1063.00		NIST
Inp	1063.00		NIST
Tboil	453.16	K	Relay (1.0) Calculated Property
Tc	630.79	K	Relay (1.0) Calculated Property
Tfus	239.90	K	Relay (1.0) Calculated Property
Vc	0.517	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[330.57; 406.08]	J/mol×K	[492.95; 687.99]
Cp,gas	330.57	J/mol×K	492.95	Joback Calculated Property
Cp,gas	345.04	J/mol×K	525.46	Joback Calculated Property
Cp,gas	358.71	J/mol×K	557.96	Joback Calculated Property
Cp,gas	371.61	J/mol×K	590.47	Joback Calculated Property
Cp,gas	383.79	J/mol×K	622.98	Joback Calculated Property
Cp,gas	395.27	J/mol×K	655.48	Joback Calculated Property
Cp,gas	406.08	J/mol×K	687.99	Joback Calculated Property
η	[0.0002716; 0.0082353]	Pa×s	[258.46; 492.95]
η	0.0082353	Pa×s	258.46	Joback Calculated Property
η	0.0032103	Pa×s	297.54	Joback Calculated Property
η	0.0015574	Pa×s	336.62	Joback Calculated Property
η	0.0008783	Pa×s	375.71	Joback Calculated Property
η	0.0005517	Pa×s	414.79	Joback Calculated Property
η	0.0003755	Pa×s	453.87	Joback Calculated Property
η	0.0002716	Pa×s	492.95	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3,5,5-Trimethylhexanoyl chloride.

Sources

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

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.