Chemical Properties of Cyclopropanecarboxylic acid, trans-2-phenyl-, tridec-6-yl ester

InChI

InChI=1S/C23H36O2/c1-3-5-7-8-13-17-20(16-10-6-4-2)25-23(24)22-18-21(22)19-14-11-9-12-15-19/h9,11-12,14-15,20-22H,3-8,10,13,16-18H2,1-2H3

InChI Key

MJMJRYNFEKYKJW-UHFFFAOYSA-N

Formula

C23H36O2

SMILES

CCCCCCCC(CCCCC)OC(=O)C1CC1c1ccccc1

Molecular Weight¹

344.53

• 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°	71.87	kJ/mol	Joback Calculated Property
ΔfH°gas	-479.14	kJ/mol	Joback Calculated Property
ΔfusH°	47.84	kJ/mol	Joback Calculated Property
ΔvapH°	77.44	kJ/mol	Joback Calculated Property
log10WS	-7.14		Crippen Calculated Property
logPoct/wat	6.643		Crippen Calculated Property
McVol	307.750	ml/mol	McGowan Calculated Property
Pc	1153.78	kPa	Joback Calculated Property
Inp	[2439.00; 2439.00]
Inp	2439.00		NIST
Inp	2439.00		NIST
Tboil	830.24	K	Joback Calculated Property
Tc	1030.19	K	Joback Calculated Property
Tfus	446.25	K	Joback Calculated Property
Vc	1.190	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[993.90; 1094.75]	J/mol×K	[830.24; 1030.19]
Cp,gas	993.90	J/mol×K	830.24	Joback Calculated Property
Cp,gas	1013.46	J/mol×K	863.57	Joback Calculated Property
Cp,gas	1031.82	J/mol×K	896.89	Joback Calculated Property
Cp,gas	1049.07	J/mol×K	930.22	Joback Calculated Property
Cp,gas	1065.26	J/mol×K	963.54	Joback Calculated Property
Cp,gas	1080.47	J/mol×K	996.87	Joback Calculated Property
Cp,gas	1094.75	J/mol×K	1030.19	Joback Calculated Property
η	[0.0001771; 0.0016481]	Pa×s	[446.25; 830.24]
η	0.0016481	Pa×s	446.25	Joback Calculated Property
η	0.0009001	Pa×s	510.25	Joback Calculated Property
η	0.0005625	Pa×s	574.25	Joback Calculated Property
η	0.0003863	Pa×s	638.25	Joback Calculated Property
η	0.0002841	Pa×s	702.24	Joback Calculated Property
η	0.0002199	Pa×s	766.24	Joback Calculated Property
η	0.0001771	Pa×s	830.24	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyclopropanecarboxylic acid, trans-2-phenyl-, tridec-6-yl ester.

Sources

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

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