Chemical Properties of Cyclopropanecarboxylic acid, trans-2-phenyl-, heptadecyl ester

InChI

InChI=1S/C27H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-29-27(28)26-23-25(26)24-20-17-16-18-21-24/h16-18,20-21,25-26H,2-15,19,22-23H2,1H3

InChI Key

LUOVOWNFFFKCNB-UHFFFAOYSA-N

Formula

C27H44O2

SMILES

CCCCCCCCCCCCCCCCCOC(=O)C1CC1c1ccccc1

Molecular Weight¹

400.64

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	107.99	kJ/mol	Joback Calculated Property
ΔfH°gas	-556.42	kJ/mol	Joback Calculated Property
ΔfusH°	61.72	kJ/mol	Joback Calculated Property
ΔvapH°	86.73	kJ/mol	Joback Calculated Property
log10WS	-8.71		Crippen Calculated Property
logPoct/wat	8.205		Crippen Calculated Property
McVol	364.110	ml/mol	McGowan Calculated Property
Pc	898.56	kPa	Joback Calculated Property
Inp	[3070.00; 3070.00]
Inp	3070.00		NIST
Inp	3070.00		NIST
Tboil	922.20	K	Joback Calculated Property
Tc	1129.67	K	Joback Calculated Property
Tfus	506.33	K	Joback Calculated Property
Vc	1.419	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1243.43; 1348.92]	J/mol×K	[922.20; 1129.67]
Cp,gas	1243.43	J/mol×K	922.20	Joback Calculated Property
Cp,gas	1263.88	J/mol×K	956.78	Joback Calculated Property
Cp,gas	1283.07	J/mol×K	991.36	Joback Calculated Property
Cp,gas	1301.08	J/mol×K	1025.94	Joback Calculated Property
Cp,gas	1318.00	J/mol×K	1060.51	Joback Calculated Property
Cp,gas	1333.92	J/mol×K	1095.09	Joback Calculated Property
Cp,gas	1348.92	J/mol×K	1129.67	Joback Calculated Property
η	[0.0001185; 0.0010892]	Pa×s	[506.33; 922.20]
η	0.0010892	Pa×s	506.33	Joback Calculated Property
η	0.0006023	Pa×s	575.64	Joback Calculated Property
η	0.0003783	Pa×s	644.95	Joback Calculated Property
η	0.0002601	Pa×s	714.26	Joback Calculated Property
η	0.0001910	Pa×s	783.58	Joback Calculated Property
η	0.0001476	Pa×s	852.89	Joback Calculated Property
η	0.0001185	Pa×s	922.20	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyclopropanecarboxylic acid, trans-2-phenyl-, heptadecyl ester.

Sources

• 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.