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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	34.53	kJ/mol	Joback Calculated Property
logPoct/wat	3.018		Crippen Calculated Property
McVol	182.510	ml/mol	McGowan Calculated Property
I	[2642.00; 2642.00]
I	2642.00		NIST
I	2642.00		NIST
Tboil	568.04	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[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

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.