Chemical Properties of Butyric acid, 2-phenyl-, dec-2-yl ester

InChI

InChI=1S/C20H32O2/c1-4-6-7-8-9-11-14-17(3)22-20(21)19(5-2)18-15-12-10-13-16-18/h10,12-13,15-17,19H,4-9,11,14H2,1-3H3

InChI Key

YCJYBWZDPUJMEG-UHFFFAOYSA-N

Formula

C20H32O2

SMILES

CCCCCCCCC(C)OC(=O)C(CC)c1ccccc1

Molecular Weight¹

304.47

• 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).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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_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°	38.92	kJ/mol	Joback Calculated Property
ΔvapH°	90.11	kJ/mol	Relay (1.0) Calculated Property
IE	8.76	eV	Relay (1.0) Calculated Property
log10WS	-5.58		Relay (1.0) Calculated Property
logPoct/wat	5.863		Crippen Calculated Property
McVol	276.340	ml/mol	McGowan Calculated Property
Pc	1288.36	kPa	Joback Calculated Property
Inp	[2007.00; 2007.00]
Inp	2007.00		NIST
Inp	2007.00		NIST
Tboil	594.11	K	Relay (1.0) Calculated Property
Tfus	279.63	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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	[819.39; 916.86]	J/mol×K	[741.22; 934.16]
Cp,gas	819.39	J/mol×K	741.22	Joback Calculated Property
Cp,gas	838.39	J/mol×K	773.38	Joback Calculated Property
Cp,gas	856.23	J/mol×K	805.53	Joback Calculated Property
Cp,gas	872.96	J/mol×K	837.69	Joback Calculated Property
Cp,gas	888.61	J/mol×K	869.85	Joback Calculated Property
Cp,gas	903.23	J/mol×K	902.01	Joback Calculated Property
Cp,gas	916.86	J/mol×K	934.16	Joback Calculated Property
η	[0.0000560; 0.0029832]	Pa×s	[353.91; 741.22]
η	0.0029832	Pa×s	353.91	Joback Calculated Property
η	0.0009226	Pa×s	418.46	Joback Calculated Property
η	0.0003905	Pa×s	483.01	Joback Calculated Property
η	0.0002024	Pa×s	547.57	Joback Calculated Property
η	0.0001205	Pa×s	612.12	Joback Calculated Property
η	0.0000792	Pa×s	676.67	Joback Calculated Property
η	0.0000560	Pa×s	741.22	Joback Calculated Property

Similar Compounds

Find more compounds similar to Butyric acid, 2-phenyl-, dec-2-yl ester.

Sources

• Cheméo Relay (1.0)
• 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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