Chemical Properties of 4-(3-Methyloxiranyl)-phenyl tiglate

InChI

InChI=1S/C14H16O3/c1-4-9(2)14(15)17-12-7-5-11(6-8-12)13-10(3)16-13/h4-8,10,13H,1-3H3/b9-4+

InChI Key

NVVSTEISAGGUMC-RUDMXATFSA-N

Formula

C14H16O3

SMILES

CC=C(C)C(=O)Oc1ccc(C2OC2C)cc1

Molecular Weight¹

232.28

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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 : 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°	-25.55	kJ/mol	Joback Calculated Property
ΔfH°gas	-324.14	kJ/mol	Joback Calculated Property
ΔfusH°	34.53	kJ/mol	Joback Calculated Property
ΔvapH°	63.00	kJ/mol	Joback Calculated Property
log10WS	-3.67		Crippen Calculated Property
logPoct/wat	3.018		Crippen Calculated Property
McVol	182.510	ml/mol	McGowan Calculated Property
Pc	2367.97	kPa	Joback Calculated Property
I	[2642.00; 2642.00]
I	2642.00		NIST
I	2642.00		NIST
Tboil	660.73	K	Joback Calculated Property
Tc	885.13	K	Joback Calculated Property
Tfus	379.87	K	Joback Calculated Property
Vc	0.694	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[491.02; 572.32]	J/mol×K	[660.73; 885.13]
Cp,gas	491.02	J/mol×K	660.73	Joback Calculated Property
Cp,gas	507.03	J/mol×K	698.13	Joback Calculated Property
Cp,gas	521.98	J/mol×K	735.53	Joback Calculated Property
Cp,gas	535.91	J/mol×K	772.93	Joback Calculated Property
Cp,gas	548.91	J/mol×K	810.33	Joback Calculated Property
Cp,gas	561.02	J/mol×K	847.73	Joback Calculated Property
Cp,gas	572.32	J/mol×K	885.13	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-(3-Methyloxiranyl)-phenyl tiglate.

Sources

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

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