Chemical Properties of Hexanoic acid, 3,5,5-trimethyl- (CAS 3302-10-1)

InChI

InChI=1S/C9H18O2/c1-7(5-8(10)11)6-9(2,3)4/h7H,5-6H2,1-4H3,(H,10,11)

InChI Key

OILUAKBAMVLXGF-UHFFFAOYSA-N

Formula

C9H18O2

SMILES

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

Molecular Weight¹

158.24

CAS

3302-10-1

Other Names

• 3,5,5-Trimethylhexanoic acid

• 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).
• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[361.45; 433.71]	J/mol×K	[547.36; 744.76]
Cp,gas	361.45	J/mol×K	547.36	Joback Calculated Property
Cp,gas	375.38	J/mol×K	580.26	Joback Calculated Property
Cp,gas	388.49	J/mol×K	613.16	Joback Calculated Property
Cp,gas	400.84	J/mol×K	646.06	Joback Calculated Property
Cp,gas	412.47	J/mol×K	678.96	Joback Calculated Property
Cp,gas	423.41	J/mol×K	711.86	Joback Calculated Property
Cp,gas	433.71	J/mol×K	744.76	Joback Calculated Property
η	[0.0002103; 0.0024913]	Pa×s	[339.21; 547.36]
η	0.0024913	Pa×s	339.21	Joback Calculated Property
η	0.0013629	Pa×s	373.90	Joback Calculated Property
η	0.0008260	Pa×s	408.59	Joback Calculated Property
η	0.0005415	Pa×s	443.28	Joback Calculated Property
η	0.0003774	Pa×s	477.98	Joback Calculated Property
η	0.0002762	Pa×s	512.67	Joback Calculated Property
η	0.0002103	Pa×s	547.36	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[385.32; 532.37]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.56981e+01
Coefficient B			-4.68506e+03
Coefficient C			-8.13040e+01
Temperature range, min.			385.32
Temperature range, max.			532.37
Pvap	1.33	kPa	385.32	Calculated Property
Pvap	2.93	kPa	401.66	Calculated Property
Pvap	5.95	kPa	418.00	Calculated Property
Pvap	11.33	kPa	434.34	Calculated Property
Pvap	20.37	kPa	450.68	Calculated Property
Pvap	34.87	kPa	467.01	Calculated Property
Pvap	57.12	kPa	483.35	Calculated Property
Pvap	90.04	kPa	499.69	Calculated Property
Pvap	137.16	kPa	516.03	Calculated Property
Pvap	202.65	kPa	532.37	Calculated Property

Similar Compounds

Find more compounds similar to Hexanoic acid, 3,5,5-trimethyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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