Chemical Properties of 3-Hexyl-oxirane-2-carboxylic acid methyl ester

InChI

InChI=1S/C10H18O3/c1-3-4-5-6-7-8-9(13-8)10(11)12-2/h8-9H,3-7H2,1-2H3

InChI Key

CYFDJMXHODROJG-UHFFFAOYSA-N

Formula

C10H18O3

SMILES

CCCCCCC1OC1C(=O)OC

Molecular Weight¹

186.25

• 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	0.5604		Relay (1.0) Calculated Property
ΔfG°	-233.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-603.64	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.63	kJ/mol	Joback Calculated Property
ΔvapH°	70.30	kJ/mol	Relay (1.0) Calculated Property
IE	10.02	eV	Relay (1.0) Calculated Property
log10WS	-2.31		Relay (1.0) Calculated Property
logPoct/wat	1.897		Crippen Calculated Property
McVol	154.210	ml/mol	McGowan Calculated Property
Pc	2393.53	kPa	Joback Calculated Property
Inp	[1294.00; 1294.00]
Inp	1294.00		NIST
Inp	1294.00		NIST
Tboil	486.26	K	Relay (1.0) Calculated Property
Tc	679.12	K	Relay (1.0) Calculated Property
Tfus	283.19	K	Relay (1.0) Calculated Property
Vc	0.591	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[386.72; 466.33]	J/mol×K	[533.51; 717.59]
Cp,gas	386.72	J/mol×K	533.51	Joback Calculated Property
Cp,gas	401.63	J/mol×K	564.19	Joback Calculated Property
Cp,gas	415.86	J/mol×K	594.87	Joback Calculated Property
Cp,gas	429.42	J/mol×K	625.55	Joback Calculated Property
Cp,gas	442.34	J/mol×K	656.23	Joback Calculated Property
Cp,gas	454.64	J/mol×K	686.91	Joback Calculated Property
Cp,gas	466.33	J/mol×K	717.59	Joback Calculated Property
η	[0.0005189; 0.0021260]	Pa×s	[314.89; 533.51]
η	0.0021260	Pa×s	314.89	Joback Calculated Property
η	0.0014878	Pa×s	351.33	Joback Calculated Property
η	0.0011135	Pa×s	387.76	Joback Calculated Property
η	0.0008759	Pa×s	424.20	Joback Calculated Property
η	0.0007156	Pa×s	460.64	Joback Calculated Property
η	0.0006023	Pa×s	497.07	Joback Calculated Property
η	0.0005189	Pa×s	533.51	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Hexyl-oxirane-2-carboxylic acid methyl ester.

Sources

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

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