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

386.61

• 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°	99.57	kJ/mol	Joback Calculated Property
ΔfH°gas	-535.78	kJ/mol	Joback Calculated Property
ΔfusH°	59.13	kJ/mol	Joback Calculated Property
ΔvapH°	84.51	kJ/mol	Joback Calculated Property
log10WS	-8.29		Crippen Calculated Property
logPoct/wat	7.815		Crippen Calculated Property
McVol	350.020	ml/mol	McGowan Calculated Property
Pc	952.60	kPa	Joback Calculated Property
Inp	[2965.00; 2965.00]
Inp	2965.00		NIST
Inp	2965.00		NIST
Tboil	899.32	K	Joback Calculated Property
Tc	1103.22	K	Joback Calculated Property
Tfus	495.06	K	Joback Calculated Property
Vc	1.363	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1179.98; 1283.86]	J/mol×K	[899.32; 1103.22]
Cp,gas	1179.98	J/mol×K	899.32	Joback Calculated Property
Cp,gas	1200.09	J/mol×K	933.30	Joback Calculated Property
Cp,gas	1218.99	J/mol×K	967.29	Joback Calculated Property
Cp,gas	1236.73	J/mol×K	1001.27	Joback Calculated Property
Cp,gas	1253.40	J/mol×K	1035.26	Joback Calculated Property
Cp,gas	1269.09	J/mol×K	1069.24	Joback Calculated Property
Cp,gas	1283.86	J/mol×K	1103.22	Joback Calculated Property
η	[0.0001346; 0.0011860]	Pa×s	[495.06; 899.32]
η	0.0011860	Pa×s	495.06	Joback Calculated Property
η	0.0006640	Pa×s	562.44	Joback Calculated Property
η	0.0004209	Pa×s	629.81	Joback Calculated Property
η	0.0002914	Pa×s	697.19	Joback Calculated Property
η	0.0002152	Pa×s	764.57	Joback Calculated Property
η	0.0001670	Pa×s	831.94	Joback Calculated Property
η	0.0001346	Pa×s	899.32	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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