Chemical Properties of Glyceryl p-coumarate (CAS 106055-11-2)

InChI

InChI=1S/C12H14O5/c13-7-11(15)8-17-12(16)6-3-9-1-4-10(14)5-2-9/h1-6,11,13-15H,7-8H2/b6-3+

InChI Key

YUQSZTOOHLGKGG-ZZXKWVIFSA-N

Formula

C12H14O5

SMILES

O=C(C=Cc1ccc(O)cc1)OCC(O)CO

Molecular Weight¹

238.24

CAS

106055-11-2

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion 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.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	35.88	kJ/mol	Joback Calculated Property
log10WS	-1.49		Relay (1.0) Calculated Property
logPoct/wat	0.302		Crippen Calculated Property
McVol	176.930	ml/mol	McGowan Calculated Property
Inp	[2430.50; 2430.50]
Inp	2430.50		NIST
Inp	2430.50		NIST
Tboil	657.08	K	Relay (1.0) Calculated Property
Tfus	382.60	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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 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	[516.56; 564.60]	J/mol×K	[827.76; 1031.84]
Cp,gas	516.56	J/mol×K	827.76	Joback Calculated Property
Cp,gas	525.46	J/mol×K	861.77	Joback Calculated Property
Cp,gas	533.91	J/mol×K	895.79	Joback Calculated Property
Cp,gas	541.97	J/mol×K	929.80	Joback Calculated Property
Cp,gas	549.73	J/mol×K	963.82	Joback Calculated Property
Cp,gas	557.25	J/mol×K	997.83	Joback Calculated Property
Cp,gas	564.60	J/mol×K	1031.84	Joback Calculated Property
η	[0.0000002; 0.0000861]	Pa×s	[507.03; 827.76]
η	0.0000861	Pa×s	507.03	Joback Calculated Property
η	0.0000197	Pa×s	560.49	Joback Calculated Property
η	0.0000059	Pa×s	613.94	Joback Calculated Property
η	0.0000021	Pa×s	667.39	Joback Calculated Property
η	0.0000009	Pa×s	720.85	Joback Calculated Property
η	0.0000004	Pa×s	774.31	Joback Calculated Property
η	0.0000002	Pa×s	827.76	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glyceryl p-coumarate.

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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