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

InChI

InChI=1S/C28H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-30-28(29)27-24-26(27)25-21-18-17-19-22-25/h17-19,21-22,26-27H,2-16,20,23-24H2,1H3

InChI Key

IEFIGJUOZNQAAS-UHFFFAOYSA-N

Formula

C28H46O2

SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C1CC1c1ccccc1

Molecular Weight¹

414.66

• 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	1.1028		Relay (1.0) Calculated Property
ΔfH°gas	-600.45	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	64.31	kJ/mol	Joback Calculated Property
ΔvapH°	130.95	kJ/mol	Relay (1.0) Calculated Property
log10WS	-8.25		Relay (1.0) Calculated Property
logPoct/wat	8.595		Crippen Calculated Property
McVol	378.200	ml/mol	McGowan Calculated Property
Pc	849.00	kPa	Joback Calculated Property
Inp	[3184.00; 3184.00]
Inp	3184.00		NIST
Inp	3184.00		NIST
Tboil	666.37	K	Relay (1.0) Calculated Property
Tc	905.03	K	Relay (1.0) Calculated Property
Tfus	307.44	K	Relay (1.0) Calculated Property
Vc	1.438	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	[1307.43; 1414.81]	J/mol×K	[945.08; 1157.05]
Cp,gas	1307.43	J/mol×K	945.08	Joback Calculated Property
Cp,gas	1328.28	J/mol×K	980.41	Joback Calculated Property
Cp,gas	1347.82	J/mol×K	1015.74	Joback Calculated Property
Cp,gas	1366.14	J/mol×K	1051.07	Joback Calculated Property
Cp,gas	1383.36	J/mol×K	1086.40	Joback Calculated Property
Cp,gas	1399.55	J/mol×K	1121.72	Joback Calculated Property
Cp,gas	1414.81	J/mol×K	1157.05	Joback Calculated Property
η	[0.0001040; 0.0009956]	Pa×s	[517.60; 945.08]
η	0.0009956	Pa×s	517.60	Joback Calculated Property
η	0.0005441	Pa×s	588.85	Joback Calculated Property
η	0.0003387	Pa×s	660.09	Joback Calculated Property
η	0.0002313	Pa×s	731.34	Joback Calculated Property
η	0.0001690	Pa×s	802.59	Joback Calculated Property
η	0.0001300	Pa×s	873.83	Joback Calculated Property
η	0.0001040	Pa×s	945.08	Joback Calculated Property

Similar Compounds

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

Sources

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

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