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

InChI

InChI=1S/C22H34O2/c1-2-3-4-5-6-7-8-9-10-14-17-24-22(23)21-18-20(21)19-15-12-11-13-16-19/h11-13,15-16,20-21H,2-10,14,17-18H2,1H3

InChI Key

JZJYVMZMAIRKBY-UHFFFAOYSA-N

Formula

C22H34O2

SMILES

CCCCCCCCCCCCOC(=O)C1CC1c1ccccc1

Molecular Weight¹

330.50

• 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	0.8860		Relay (1.0) Calculated Property
ΔfH°gas	-469.85	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	50.35	kJ/mol	Joback Calculated Property
ΔvapH°	105.15	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.40		Relay (1.0) Calculated Property
logPoct/wat	6.254		Crippen Calculated Property
McVol	293.660	ml/mol	McGowan Calculated Property
Pc	1191.52	kPa	Joback Calculated Property
Inp	[2553.00; 2553.00]
Inp	2553.00		NIST
Inp	2553.00		NIST
Tboil	626.48	K	Relay (1.0) Calculated Property
Tc	863.29	K	Relay (1.0) Calculated Property
Tfus	292.05	K	Relay (1.0) Calculated Property
Vc	1.112	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	[924.50; 1024.24]	J/mol×K	[789.93; 985.26]
Cp,gas	924.50	J/mol×K	789.93	Joback Calculated Property
Cp,gas	943.88	J/mol×K	822.48	Joback Calculated Property
Cp,gas	962.08	J/mol×K	855.04	Joback Calculated Property
Cp,gas	979.15	J/mol×K	887.59	Joback Calculated Property
Cp,gas	995.16	J/mol×K	920.15	Joback Calculated Property
Cp,gas	1010.17	J/mol×K	952.70	Joback Calculated Property
Cp,gas	1024.24	J/mol×K	985.26	Joback Calculated Property
η	[0.0001869; 0.0018176]	Pa×s	[420.15; 789.93]
η	0.0018176	Pa×s	420.15	Joback Calculated Property
η	0.0009762	Pa×s	481.78	Joback Calculated Property
η	0.0006037	Pa×s	543.41	Joback Calculated Property
η	0.0004118	Pa×s	605.04	Joback Calculated Property
η	0.0003014	Pa×s	666.67	Joback Calculated Property
η	0.0002326	Pa×s	728.30	Joback Calculated Property
η	0.0001869	Pa×s	789.93	Joback Calculated Property

Similar Compounds

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

Sources

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

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