Chemical Properties of Thymyl methacrylate

InChI

InChI=1S/C14H18O2/c1-9(2)12-7-6-11(5)8-13(12)16-14(15)10(3)4/h6-9H,3H2,1-2,4-5H3

InChI Key

PQQBFPKEFXWHQR-UHFFFAOYSA-N

Formula

C14H18O2

SMILES

C=C(C)C(=O)Oc1cc(C)ccc1C(C)C

Molecular Weight¹

218.29

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-320.63	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.54	kJ/mol	Joback Calculated Property
ΔvapH°	72.92	kJ/mol	Relay (1.0) Calculated Property
log10WS	-3.98		Relay (1.0) Calculated Property
logPoct/wat	3.600		Crippen Calculated Property
McVol	187.500	ml/mol	McGowan Calculated Property
Inp	1481.00		NIST
I	[1957.00; 1957.00]
I	1957.00		NIST
I	1957.00		NIST
Tboil	533.59	K	Relay (1.0) Calculated Property
Tc	759.12	K	Relay (1.0) Calculated Property
Tfus	292.45	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[256.69; 596.86]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			5.90000e+00
Coefficient B			1.06698e+00
Coefficient C			-5.68720e-04
Coefficient D			9.27000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	256.69	J/mol×K	273.00	Calculated Property
Cp,gas	316.30	J/mol×K	353.78	Calculated Property
Cp,gas	369.77	J/mol×K	434.56	Calculated Property
Cp,gas	417.40	J/mol×K	515.33	Calculated Property
Cp,gas	459.48	J/mol×K	596.11	Calculated Property
Cp,gas	496.30	J/mol×K	676.89	Calculated Property
Cp,gas	528.16	J/mol×K	757.67	Calculated Property
Cp,gas	555.34	J/mol×K	838.44	Calculated Property
Cp,gas	578.14	J/mol×K	919.22	Calculated Property
Cp,gas	596.86	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Thymyl methacrylate.

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.
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