Chemical Properties of Methyl 6-methyl heptanoate (CAS 2519-37-1)

InChI

InChI=1S/C9H18O2/c1-8(2)6-4-5-7-9(10)11-3/h8H,4-7H2,1-3H3

InChI Key

QIYDQYBDGDYJKD-UHFFFAOYSA-N

Formula

C9H18O2

SMILES

COC(=O)CCCCC(C)C

Molecular Weight¹

158.24

CAS

2519-37-1

Other Names

• 6-Methylheptanoic acid, methyl ester
• Heptanoic acid, 6-methyl, methyl ester

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• I_np : Non-polar retention indices.
• 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
ω	0.5286		Relay (1.0) Calculated Property
ΔfH°gas	-551.32	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.91	kJ/mol	Joback Calculated Property
ΔvapH°	57.77	kJ/mol	Relay (1.0) Calculated Property
IE	9.78	eV	Relay (1.0) Calculated Property
log10WS	-2.82		Relay (1.0) Calculated Property
logPoct/wat	2.376		Crippen Calculated Property
McVol	145.110	ml/mol	McGowan Calculated Property
Pc	2336.03	kPa	Joback Calculated Property
Inp	1068.00		NIST
I	[1338.00; 1338.00]
I	1338.00		NIST
I	1338.00		NIST
Tboil	446.98	K	Relay (1.0) Calculated Property
Tc	635.54	K	Relay (1.0) Calculated Property
Tfus	215.02	K	Relay (1.0) Calculated Property
Vc	0.541	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[317.13; 392.55]	J/mol×K	[463.30; 637.50]
Cp,gas	317.13	J/mol×K	463.30	Joback Calculated Property
Cp,gas	331.02	J/mol×K	492.33	Joback Calculated Property
Cp,gas	344.38	J/mol×K	521.37	Joback Calculated Property
Cp,gas	357.20	J/mol×K	550.40	Joback Calculated Property
Cp,gas	369.50	J/mol×K	579.43	Joback Calculated Property
Cp,gas	381.28	J/mol×K	608.47	Joback Calculated Property
Cp,gas	392.55	J/mol×K	637.50	Joback Calculated Property
η	[0.0002144; 0.0099060]	Pa×s	[218.52; 463.30]
η	0.0099060	Pa×s	218.52	Joback Calculated Property
η	0.0031636	Pa×s	259.32	Joback Calculated Property
η	0.0013780	Pa×s	300.11	Joback Calculated Property
η	0.0007323	Pa×s	340.91	Joback Calculated Property
η	0.0004455	Pa×s	381.71	Joback Calculated Property
η	0.0002983	Pa×s	422.50	Joback Calculated Property
η	0.0002144	Pa×s	463.30	Joback Calculated Property

Similar Compounds

Find more compounds similar to Methyl 6-methyl heptanoate.

Sources

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

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