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

InChI

InChI=1S/C25H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-27-25(26)24-21-23(24)22-18-15-14-16-19-22/h14-16,18-19,23-24H,2-13,17,20-21H2,1H3

InChI Key

WXZGLCCTFUNMJJ-UHFFFAOYSA-N

Formula

C25H40O2

SMILES

CCCCCCCCCCCCCCCOC(=O)C1CC1c1ccccc1

Molecular Weight¹

372.58

• 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	0.9952		Relay (1.0) Calculated Property
ΔfH°gas	-535.38	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	58.12	kJ/mol	Joback Calculated Property
ΔvapH°	118.06	kJ/mol	Relay (1.0) Calculated Property
log10WS	-7.31		Relay (1.0) Calculated Property
logPoct/wat	7.425		Crippen Calculated Property
McVol	335.930	ml/mol	McGowan Calculated Property
Pc	985.78	kPa	Joback Calculated Property
Inp	[2864.00; 2864.00]
Inp	2864.00		NIST
Inp	2864.00		NIST
Tboil	646.78	K	Relay (1.0) Calculated Property
Tc	885.02	K	Relay (1.0) Calculated Property
Tfus	300.50	K	Relay (1.0) Calculated Property
Vc	1.276	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	[1108.24; 1210.44]	J/mol×K	[858.57; 1056.77]
Cp,gas	1108.24	J/mol×K	858.57	Joback Calculated Property
Cp,gas	1128.13	J/mol×K	891.60	Joback Calculated Property
Cp,gas	1146.78	J/mol×K	924.64	Joback Calculated Property
Cp,gas	1164.27	J/mol×K	957.67	Joback Calculated Property
Cp,gas	1180.66	J/mol×K	990.70	Joback Calculated Property
Cp,gas	1196.02	J/mol×K	1023.73	Joback Calculated Property
Cp,gas	1210.44	J/mol×K	1056.77	Joback Calculated Property
η	[0.0001311; 0.0014634]	Pa×s	[453.96; 858.57]
η	0.0014634	Pa×s	453.96	Joback Calculated Property
η	0.0007547	Pa×s	521.39	Joback Calculated Property
η	0.0004530	Pa×s	588.83	Joback Calculated Property
η	0.0003020	Pa×s	656.26	Joback Calculated Property
η	0.0002171	Pa×s	723.70	Joback Calculated Property
η	0.0001651	Pa×s	791.13	Joback Calculated Property
η	0.0001311	Pa×s	858.57	Joback Calculated Property

Similar Compounds

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

Sources

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

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