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_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).
• 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 (... Calculated Property
ΔfG°	-327.90	kJ/mol	Joback Calculated Property
ΔfH°gas	-776.45	kJ/mol	Relay (... Calculated Property
ΔfusH°	23.14	kJ/mol	Joback Calculated Property
ΔvapH°	77.77	kJ/mol	Relay (... Calculated Property
IE	9.58	eV	Relay (... Calculated Property
log10WS	-1.67		Relay (... Calculated Property
logPoct/wat	2.373		Crippen Calculated Property
McVol	193.250	ml/mol	McGowan Calculated Property
Pc	2051.17	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 (... Calculated Property
Tc	695.39	K	Relay (... Calculated Property
Tfus	255.74	K	Relay (... Calculated Property
Vc	0.708	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[531.49; 607.94]	J/mol×K	[641.11; 814.54]
Cp,gas	531.49	J/mol×K	641.11	Joback Calculated Property
Cp,gas	545.81	J/mol×K	670.01	Joback Calculated Property
Cp,gas	559.48	J/mol×K	698.92	Joback Calculated Property
Cp,gas	572.52	J/mol×K	727.82	Joback Calculated Property
Cp,gas	584.94	J/mol×K	756.73	Joback Calculated Property
Cp,gas	596.74	J/mol×K	785.63	Joback Calculated Property
Cp,gas	607.94	J/mol×K	814.54	Joback Calculated Property
η	[0.0000432; 0.0166774]	Pa×s	[312.98; 641.11]
η	0.0166774	Pa×s	312.98	Joback Calculated Property
η	0.0029545	Pa×s	367.67	Joback Calculated Property
η	0.0008194	Pa×s	422.36	Joback Calculated Property
η	0.0003049	Pa×s	477.05	Joback Calculated Property
η	0.0001391	Pa×s	531.73	Joback Calculated Property
η	0.0000734	Pa×s	586.42	Joback Calculated Property
η	0.0000432	Pa×s	641.11	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

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