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

InChI

InChI=1S/C26H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-28-26(27)25-22-24(25)23-19-16-15-17-20-23/h15-17,19-20,24-25H,2-14,18,21-22H2,1H3

InChI Key

XYYLNWASRLMQKZ-UHFFFAOYSA-N

Formula

C26H42O2

SMILES

CCCCCCCCCCCCCCCCOC(=O)C1CC1c1ccccc1

Molecular Weight¹

386.62

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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
ω	1.0312		Relay (1.0) Calculated Property
ΔfH°gas	-557.08	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	60.71	kJ/mol	Joback Calculated Property
ΔvapH°	122.36	kJ/mol	Relay (1.0) Calculated Property
log10WS	-7.63		Relay (1.0) Calculated Property
logPoct/wat	7.815		Crippen Calculated Property
McVol	350.020	ml/mol	McGowan Calculated Property
Pc	928.94	kPa	Joback Calculated Property
Inp	[2965.00; 2965.00]
Inp	2965.00		NIST
Inp	2965.00		NIST
Tboil	653.33	K	Relay (1.0) Calculated Property
Tc	891.85	K	Relay (1.0) Calculated Property
Tfus	302.99	K	Relay (1.0) Calculated Property
Vc	1.330	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, 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	[1170.86; 1274.15]	J/mol×K	[881.45; 1082.08]
Cp,gas	1170.86	J/mol×K	881.45	Joback Calculated Property
Cp,gas	1190.98	J/mol×K	914.89	Joback Calculated Property
Cp,gas	1209.84	J/mol×K	948.33	Joback Calculated Property
Cp,gas	1227.51	J/mol×K	981.77	Joback Calculated Property
Cp,gas	1244.07	J/mol×K	1015.20	Joback Calculated Property
Cp,gas	1259.59	J/mol×K	1048.64	Joback Calculated Property
Cp,gas	1274.15	J/mol×K	1082.08	Joback Calculated Property
η	[0.0001156; 0.0013459]	Pa×s	[465.23; 881.45]
η	0.0013459	Pa×s	465.23	Joback Calculated Property
η	0.0006856	Pa×s	534.60	Joback Calculated Property
η	0.0004078	Pa×s	603.97	Joback Calculated Property
η	0.0002700	Pa×s	673.34	Joback Calculated Property
η	0.0001930	Pa×s	742.71	Joback Calculated Property
η	0.0001462	Pa×s	812.08	Joback Calculated Property
η	0.0001156	Pa×s	881.45	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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