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

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
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔfusH° 36.11 kJ/mol Joback Calculated Property
logPoct/wat 3.018 Crippen Calculated Property
McVol 182.510 ml/mol McGowan Calculated Property
Ip [2642.00; 2642.00]   Show Hide
Ip 2642.00 NIST
Ip 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [246.44; 603.21] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-4.48900e+01
Coefficient B1.28196e+00
Coefficient C-8.44360e-04
Coefficient D2.10500e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 246.44 J/mol×K 273.00 Calculated Property
Cp,gas 312.28 J/mol×K 353.78 Calculated Property
Cp,gas 370.02 J/mol×K 434.56 Calculated Property
Cp,gas 420.32 J/mol×K 515.33 Calculated Property
Cp,gas 463.85 J/mol×K 596.11 Calculated Property
Cp,gas 501.27 J/mol×K 676.89 Calculated Property
Cp,gas 533.25 J/mol×K 757.67 Calculated Property
Cp,gas 560.46 J/mol×K 838.44 Calculated Property
Cp,gas 583.56 J/mol×K 919.22 Calculated Property
Cp,gas 603.21 J/mol×K 1000.00 Calculated Property

Similar Compounds

Epoxypseudoisoeugenyl tiglate II. Epoxypseudoisoeugenyl tiglate. Epoxypseudoisoeugenyl tiglate I. 4-(3-Methyloxiranyl)-phenyl-2-methyl butyrate. 4-Methoxy-2-(3-methyloxiranyl)-phenyl tiglate. 4-Methoxy-2-(3-methyloxiranyl)-phenyl angelate. Epoxypseudoisoeugenyl 2-methylbutyrate. Butanoic acid, 2-methyl-, 4-methoxy-2-(3-methyloxiranyl)phenyl ester. (2R,3S,5S,6R)-2,5-bis(4-Methoxyphenyl)-3,6-dimethyl-1,4-dioxane-rel-. 4-Methoxy-2-(3-methyloxiranyl)-phenyl isobutyrate. 4-[2-(4-Allyl-2,6-dimethoxy-phenoxy)-1-hydroxy-propyl]-2-methoxy-phenol, TPS. (-)-11-nor-9-carboxy-.DELTA.9-THC, trimethylsilyl ether, trimethylsilyl ester. .delta.1-tetrahydrocannabinolic acid, phenyl-boronate. Shinflavanone. 4-[2-(4-Allyl-2,6-dimethoxy-phenoxy)-1-hydroxy-propyl]-2-methoxy-phenol, TES.

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

Sources

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.