Chemical Properties of Cyclopropanecarboxylic acid, trans-2-phenyl-, undec-2-en-1-yl ester

InChI

InChI=1S/C21H30O2/c1-2-3-4-5-6-7-8-9-13-16-23-21(22)20-17-19(20)18-14-11-10-12-15-18/h9-15,19-20H,2-8,16-17H2,1H3/b13-9+

InChI Key

QPHMNANXWRMBPH-UKTHLTGXSA-N

Formula

C21H30O2

SMILES

CCCCCCCCC=CCOC(=O)C1CC1c1ccccc1

Molecular Weight¹

314.46

• 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°	137.69	kJ/mol	Joback Calculated Property
ΔfH°gas	-315.36	kJ/mol	Joback Calculated Property
ΔfusH°	46.38	kJ/mol	Joback Calculated Property
ΔvapH°	73.33	kJ/mol	Joback Calculated Property
log10WS	-6.05		Crippen Calculated Property
logPoct/wat	5.640		Crippen Calculated Property
McVol	275.270	ml/mol	McGowan Calculated Property
Pc	1363.65	kPa	Joback Calculated Property
Inp	[2456.00; 2456.00]
Inp	2456.00		NIST
Inp	2456.00		NIST
Tboil	789.08	K	Joback Calculated Property
Tc	992.27	K	Joback Calculated Property
Tfus	433.63	K	Joback Calculated Property
Vc	1.063	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[847.93; 944.50]	J/mol×K	[789.08; 992.27]
Cp,gas	847.93	J/mol×K	789.08	Joback Calculated Property
Cp,gas	866.54	J/mol×K	822.95	Joback Calculated Property
Cp,gas	884.04	J/mol×K	856.81	Joback Calculated Property
Cp,gas	900.51	J/mol×K	890.68	Joback Calculated Property
Cp,gas	916.03	J/mol×K	924.54	Joback Calculated Property
Cp,gas	930.67	J/mol×K	958.41	Joback Calculated Property
Cp,gas	944.50	J/mol×K	992.27	Joback Calculated Property
η	[0.0002106; 0.0015195]	Pa×s	[433.63; 789.08]
η	0.0015195	Pa×s	433.63	Joback Calculated Property
η	0.0008968	Pa×s	492.87	Joback Calculated Property
η	0.0005927	Pa×s	552.11	Joback Calculated Property
η	0.0004245	Pa×s	611.36	Joback Calculated Property
η	0.0003225	Pa×s	670.60	Joback Calculated Property
η	0.0002561	Pa×s	729.84	Joback Calculated Property
η	0.0002106	Pa×s	789.08	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyclopropanecarboxylic acid, trans-2-phenyl-, undec-2-en-1-yl ester.

Sources

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

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