Chemical Properties of 2-Methyl-2-ethyl-3-hydroxyhexyl propionate

InChI

InChI=1S/C12H24O3/c1-5-8-10(13)12(4,7-3)9-15-11(14)6-2/h10,13H,5-9H2,1-4H3

InChI Key

QONBAQBZDACBTM-UHFFFAOYSA-N

Formula

C12H24O3

SMILES

CCCC(O)C(C)(CC)COC(=O)CC

Molecular Weight¹

216.32

Other Names

• 2-methyl-2-ethyl-3 hydroxyhexyl propanoate

• 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.
• 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
ΔfG°	-320.18	kJ/mol	Joback Calculated Property
ΔfH°gas	-702.07	kJ/mol	Joback Calculated Property
ΔfusH°	22.77	kJ/mol	Joback Calculated Property
ΔvapH°	66.46	kJ/mol	Joback Calculated Property
log10WS	-2.84		Crippen Calculated Property
logPoct/wat	2.517		Crippen Calculated Property
McVol	193.250	ml/mol	McGowan Calculated Property
Pc	2056.76	kPa	Joback Calculated Property
Inp	[1370.00; 1378.00]
Inp	1378.00		NIST
Inp	1370.00		NIST
I	1859.00		NIST
Tboil	638.76	K	Joback Calculated Property
Tc	814.17	K	Joback Calculated Property
Tfus	345.40	K	Joback Calculated Property
Vc	0.734	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[533.52; 609.21]	J/mol×K	[638.76; 814.17]
Cp,gas	533.52	J/mol×K	638.76	Joback Calculated Property
Cp,gas	547.80	J/mol×K	668.00	Joback Calculated Property
Cp,gas	561.38	J/mol×K	697.23	Joback Calculated Property
Cp,gas	574.29	J/mol×K	726.47	Joback Calculated Property
Cp,gas	586.55	J/mol×K	755.70	Joback Calculated Property
Cp,gas	598.18	J/mol×K	784.94	Joback Calculated Property
Cp,gas	609.21	J/mol×K	814.17	Joback Calculated Property
η	[0.0000438; 0.0069125]	Pa×s	[345.40; 638.76]
η	0.0069125	Pa×s	345.40	Joback Calculated Property
η	0.0017625	Pa×s	394.29	Joback Calculated Property
η	0.0006075	Pa×s	443.19	Joback Calculated Property
η	0.0002588	Pa×s	492.08	Joback Calculated Property
η	0.0001286	Pa×s	540.97	Joback Calculated Property
η	0.0000718	Pa×s	589.87	Joback Calculated Property
η	0.0000438	Pa×s	638.76	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Methyl-2-ethyl-3-hydroxyhexyl propionate.

Sources

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

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