Chemical Properties of Butyric acid, 2-phenyl-, dodec-2-en-1-yl ester

InChI

InChI=1S/C22H34O2/c1-3-5-6-7-8-9-10-11-12-16-19-24-22(23)21(4-2)20-17-14-13-15-18-20/h12-18,21H,3-11,19H2,1-2H3

InChI Key

OKASAXVDJXILIH-FOWTUZBSSA-N

Formula

C22H34O2

SMILES

CCCCCCCCC/C=C/COC(=O)C(CC)c1ccccc1

Molecular Weight¹

330.51

• 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).
• 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°	47.82	kJ/mol	Joback Calculated Property
ΔvapH°	101.67	kJ/mol	Relay (1.0) Calculated Property
IE	8.61	eV	Relay (1.0) Calculated Property
logPoct/wat	6.420		Crippen Calculated Property
McVol	300.220	ml/mol	McGowan Calculated Property
Pc	1161.66	kPa	Joback Calculated Property
Inp	[2345.00; 2345.00]
Inp	2345.00		NIST
Inp	2345.00		NIST
Tboil	617.31	K	Relay (1.0) Calculated Property
Tfus	286.84	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, 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	[912.74; 1008.49]	J/mol×K	[791.58; 986.42]
Cp,gas	912.74	J/mol×K	791.58	Joback Calculated Property
Cp,gas	931.36	J/mol×K	824.05	Joback Calculated Property
Cp,gas	948.84	J/mol×K	856.53	Joback Calculated Property
Cp,gas	965.24	J/mol×K	889.00	Joback Calculated Property
Cp,gas	980.61	J/mol×K	921.47	Joback Calculated Property
Cp,gas	995.01	J/mol×K	953.95	Joback Calculated Property
Cp,gas	1008.49	J/mol×K	986.42	Joback Calculated Property
η	[0.0000399; 0.0016718]	Pa×s	[386.37; 791.58]
η	0.0016718	Pa×s	386.37	Joback Calculated Property
η	0.0005646	Pa×s	453.90	Joback Calculated Property
η	0.0002526	Pa×s	521.44	Joback Calculated Property
η	0.0001359	Pa×s	588.97	Joback Calculated Property
η	0.0000830	Pa×s	656.51	Joback Calculated Property
η	0.0000556	Pa×s	724.04	Joback Calculated Property
η	0.0000399	Pa×s	791.58	Joback Calculated Property

Similar Compounds

Find more compounds similar to Butyric acid, 2-phenyl-, dodec-2-en-1-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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