Chemical Properties of Butyl everninate

InChI

InChI=1S/C13H18O4/c1-4-5-6-17-13(15)12-9(2)7-10(16-3)8-11(12)14/h7-8,14H,4-6H2,1-3H3

InChI Key

ZSVOVTULAAEJFS-UHFFFAOYSA-N

Formula

C13H18O4

SMILES

CCCCOC(=O)c1c(C)cc(OC)cc1O

Molecular Weight¹

238.28

• 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	0.8409		Relay (1.0) Calculated Property
ΔfH°gas	-696.76	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	32.45	kJ/mol	Joback Calculated Property
ΔvapH°	83.11	kJ/mol	Relay (1.0) Calculated Property
log10WS	-4.11		Relay (1.0) Calculated Property
logPoct/wat	2.666		Crippen Calculated Property
McVol	189.450	ml/mol	McGowan Calculated Property
Pc	2532.82	kPa	Joback Calculated Property
Inp	[1878.30; 1878.30]
Inp	1878.30		NIST
Inp	1878.30		NIST
Tboil	577.52	K	Relay (1.0) Calculated Property
Tc	806.54	K	Relay (1.0) Calculated Property
Tfus	312.69	K	Relay (1.0) Calculated Property
Vc	0.690	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	[522.84; 593.86]	J/mol×K	[712.81; 924.67]
Cp,gas	522.84	J/mol×K	712.81	Joback Calculated Property
Cp,gas	536.41	J/mol×K	748.12	Joback Calculated Property
Cp,gas	549.23	J/mol×K	783.43	Joback Calculated Property
Cp,gas	561.36	J/mol×K	818.74	Joback Calculated Property
Cp,gas	572.81	J/mol×K	854.05	Joback Calculated Property
Cp,gas	583.64	J/mol×K	889.36	Joback Calculated Property
Cp,gas	593.86	J/mol×K	924.67	Joback Calculated Property
η	[0.0000111; 0.0001794]	Pa×s	[493.84; 712.81]
η	0.0001794	Pa×s	493.84	Joback Calculated Property
η	0.0000962	Pa×s	530.34	Joback Calculated Property
η	0.0000559	Pa×s	566.83	Joback Calculated Property
η	0.0000347	Pa×s	603.33	Joback Calculated Property
η	0.0000228	Pa×s	639.82	Joback Calculated Property
η	0.0000156	Pa×s	676.31	Joback Calculated Property
η	0.0000111	Pa×s	712.81	Joback Calculated Property

Similar Compounds

Find more compounds similar to Butyl everninate.

Sources

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

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