Chemical Properties of Octanoic acid, 2,2-dimethyl, methyl ester (CAS 14250-74-9)

InChI

InChI=1S/C11H22O2/c1-5-6-7-8-9-11(2,3)10(12)13-4/h5-9H2,1-4H3

InChI Key

BAKOMPNQDRRCQN-UHFFFAOYSA-N

Formula

C11H22O2

SMILES

CCCCCCC(C)(C)C(=O)OC

Molecular Weight¹

186.29

CAS

14250-74-9

Other Names

• methyl 2,2-dimethyloctanoate

• 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°	-189.34	kJ/mol	Joback Calculated Property
ΔfH°gas	-523.92	kJ/mol	Joback Calculated Property
ΔfusH°	19.62	kJ/mol	Joback Calculated Property
ΔvapH°	47.94	kJ/mol	Joback Calculated Property
log10WS	-3.05		Crippen Calculated Property
logPoct/wat	3.156		Crippen Calculated Property
McVol	173.290	ml/mol	McGowan Calculated Property
Pc	2049.31	kPa	Joback Calculated Property
Inp	[1128.00; 1128.00]
Inp	1128.00		NIST
Inp	1128.00		NIST
Tboil	524.14	K	Joback Calculated Property
Tc	704.63	K	Joback Calculated Property
Tfus	288.31	K	Joback Calculated Property
Vc	0.664	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[418.15; 503.23]	J/mol×K	[524.14; 704.63]
Cp,gas	418.15	J/mol×K	524.14	Joback Calculated Property
Cp,gas	434.09	J/mol×K	554.22	Joback Calculated Property
Cp,gas	449.29	J/mol×K	584.30	Joback Calculated Property
Cp,gas	463.79	J/mol×K	614.38	Joback Calculated Property
Cp,gas	477.60	J/mol×K	644.47	Joback Calculated Property
Cp,gas	490.74	J/mol×K	674.55	Joback Calculated Property
Cp,gas	503.23	J/mol×K	704.63	Joback Calculated Property
η	[0.0001946; 0.0041126]	Pa×s	[288.31; 524.14]
η	0.0041126	Pa×s	288.31	Joback Calculated Property
η	0.0018231	Pa×s	327.62	Joback Calculated Property
η	0.0009620	Pa×s	366.92	Joback Calculated Property
η	0.0005745	Pa×s	406.23	Joback Calculated Property
η	0.0003757	Pa×s	445.53	Joback Calculated Property
η	0.0002633	Pa×s	484.84	Joback Calculated Property
η	0.0001946	Pa×s	524.14	Joback Calculated Property

Similar Compounds

Find more compounds similar to Octanoic acid, 2,2-dimethyl, methyl ester.

Sources

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

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