Chemical Properties of Cyclopropanecarboxylic acid, trans-2-phenyl-, 3-methylphenyl ester

InChI

InChI=1S/C17H16O2/c1-12-6-5-9-14(10-12)19-17(18)16-11-15(16)13-7-3-2-4-8-13/h2-10,15-16H,11H2,1H3

InChI Key

LSHKQCOXYXCMSB-UHFFFAOYSA-N

Formula

C17H16O2

SMILES

Cc1cccc(OC(=O)C2CC2c2ccccc2)c1

Molecular Weight¹

252.31

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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	0.5646		Relay (1.0) Calculated Property
ΔfG°	126.57	kJ/mol	Joback Calculated Property
ΔfH°gas	-125.42	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	29.47	kJ/mol	Joback Calculated Property
ΔvapH°	91.05	kJ/mol	Relay (1.0) Calculated Property
IE	8.22	eV	Relay (1.0) Calculated Property
log10WS	-4.39		Relay (1.0) Calculated Property
logPoct/wat	3.704		Crippen Calculated Property
McVol	199.450	ml/mol	McGowan Calculated Property
Pc	2356.49	kPa	Joback Calculated Property
Inp	[2145.00; 2145.00]
Inp	2145.00		NIST
Inp	2145.00		NIST
Tboil	608.74	K	Relay (1.0) Calculated Property
Tc	894.78	K	Relay (1.0) Calculated Property
Tfus	318.39	K	Relay (1.0) Calculated Property
Vc	0.731	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[558.62; 642.47]	J/mol×K	[725.06; 969.46]
Cp,gas	558.62	J/mol×K	725.06	Joback Calculated Property
Cp,gas	575.74	J/mol×K	765.79	Joback Calculated Property
Cp,gas	591.48	J/mol×K	806.53	Joback Calculated Property
Cp,gas	605.93	J/mol×K	847.26	Joback Calculated Property
Cp,gas	619.19	J/mol×K	887.99	Joback Calculated Property
Cp,gas	631.33	J/mol×K	928.73	Joback Calculated Property
Cp,gas	642.47	J/mol×K	969.46	Joback Calculated Property
η	[0.0003737; 0.0015587]	Pa×s	[432.57; 725.06]
η	0.0015587	Pa×s	432.57	Joback Calculated Property
η	0.0010890	Pa×s	481.32	Joback Calculated Property
η	0.0008127	Pa×s	530.07	Joback Calculated Property
η	0.0006372	Pa×s	578.81	Joback Calculated Property
η	0.0005188	Pa×s	627.56	Joback Calculated Property
η	0.0004351	Pa×s	676.31	Joback Calculated Property
η	0.0003737	Pa×s	725.06	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyclopropanecarboxylic acid, trans-2-phenyl-, 3-methylphenyl ester.

Sources

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

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