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

InChI

InChI=1S/C23H36O2/c1-2-3-4-5-6-7-8-9-10-11-15-18-25-23(24)22-19-21(22)20-16-13-12-14-17-20/h12-14,16-17,21-22H,2-11,15,18-19H2,1H3

InChI Key

VNAWSZRMBXWLRQ-UHFFFAOYSA-N

Formula

C23H36O2

SMILES

CCCCCCCCCCCCCOC(=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°	74.31	kJ/mol	Joback Calculated Property
ΔfH°gas	-473.86	kJ/mol	Joback Calculated Property
ΔfusH°	51.36	kJ/mol	Joback Calculated Property
ΔvapH°	77.83	kJ/mol	Joback Calculated Property
log10WS	-7.03		Crippen Calculated Property
logPoct/wat	6.644		Crippen Calculated Property
McVol	307.750	ml/mol	McGowan Calculated Property
Pc	1147.54	kPa	Joback Calculated Property
Inp	[2657.00; 2657.00]
Inp	2657.00		NIST
Inp	2657.00		NIST
Tboil	830.68	K	Joback Calculated Property
Tc	1028.86	K	Joback Calculated Property
Tfus	461.25	K	Joback Calculated Property
Vc	1.196	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[993.43; 1093.72]	J/mol×K	[830.68; 1028.86]
Cp,gas	993.43	J/mol×K	830.68	Joback Calculated Property
Cp,gas	1012.82	J/mol×K	863.71	Joback Calculated Property
Cp,gas	1031.05	J/mol×K	896.74	Joback Calculated Property
Cp,gas	1048.19	J/mol×K	929.77	Joback Calculated Property
Cp,gas	1064.31	J/mol×K	962.80	Joback Calculated Property
Cp,gas	1079.46	J/mol×K	995.83	Joback Calculated Property
Cp,gas	1093.72	J/mol×K	1028.86	Joback Calculated Property
η	[0.0001932; 0.0014841]	Pa×s	[461.25; 830.68]
η	0.0014841	Pa×s	461.25	Joback Calculated Property
η	0.0008650	Pa×s	522.82	Joback Calculated Property
η	0.0005649	Pa×s	584.39	Joback Calculated Property
η	0.0004001	Pa×s	645.96	Joback Calculated Property
η	0.0003010	Pa×s	707.54	Joback Calculated Property
η	0.0002369	Pa×s	769.11	Joback Calculated Property
η	0.0001932	Pa×s	830.68	Joback Calculated Property

Similar Compounds

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

Sources

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

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