Chemical Properties of Propanoic acid, 2-methyl-, 2-ethyl-3-hydroxyhexyl ester (CAS 74367-31-0)

InChI

InChI=1S/C12H24O3/c1-5-7-11(13)10(6-2)8-15-12(14)9(3)4/h9-11,13H,5-8H2,1-4H3

InChI Key

QQRIGCXMIPFTKR-UHFFFAOYSA-N

Formula

C12H24O3

SMILES

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

Molecular Weight¹

216.32

CAS

74367-31-0

Other Names

• 2-Ethyl-3-hydroxyhexyl 2-methylpropanoate

• 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).
• 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
ω	0.7295		Relay (1.0) Calculated Property
ΔfH°gas	-776.45	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.72	kJ/mol	Joback Calculated Property
ΔvapH°	79.13	kJ/mol	Relay (1.0) Calculated Property
log10WS	-1.67		Relay (1.0) Calculated Property
logPoct/wat	2.373		Crippen Calculated Property
McVol	193.250	ml/mol	McGowan Calculated Property
Pc	1977.07	kPa	Joback Calculated Property
Inp	[1373.00; 1375.00]
Inp	1373.00		NIST
Inp	1373.00		NIST
Inp	1375.00		NIST
Inp	1373.00		NIST
Inp	1375.00		NIST
Inp	1373.00		NIST
Tboil	515.86	K	Relay (1.0) Calculated Property
Tc	697.58	K	Relay (1.0) Calculated Property
Tfus	252.22	K	Relay (1.0) Calculated Property
Vc	0.709	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, Ionization energy 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	[525.55; 602.82]	J/mol×K	[623.24; 794.21]
Cp,gas	525.55	J/mol×K	623.24	Joback Calculated Property
Cp,gas	540.06	J/mol×K	651.74	Joback Calculated Property
Cp,gas	553.91	J/mol×K	680.23	Joback Calculated Property
Cp,gas	567.09	J/mol×K	708.73	Joback Calculated Property
Cp,gas	579.63	J/mol×K	737.22	Joback Calculated Property
Cp,gas	591.54	J/mol×K	765.72	Joback Calculated Property
Cp,gas	602.82	J/mol×K	794.21	Joback Calculated Property
η	[0.0000418; 0.0486954]	Pa×s	[283.15; 623.24]
η	0.0486954	Pa×s	283.15	Joback Calculated Property
η	0.0056281	Pa×s	339.83	Joback Calculated Property
η	0.0012055	Pa×s	396.51	Joback Calculated Property
η	0.0003796	Pa×s	453.19	Joback Calculated Property
η	0.0001546	Pa×s	509.88	Joback Calculated Property
η	0.0000753	Pa×s	566.56	Joback Calculated Property
η	0.0000418	Pa×s	623.24	Joback Calculated Property

Similar Compounds

Find more compounds similar to Propanoic acid, 2-methyl-, 2-ethyl-3-hydroxyhexyl ester.

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.
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