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

• 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	0.9231		Relay (1.0) Calculated Property
ΔfH°gas	-491.99	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	52.94	kJ/mol	Joback Calculated Property
ΔvapH°	109.45	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.70		Relay (1.0) Calculated Property
logPoct/wat	6.644		Crippen Calculated Property
McVol	307.750	ml/mol	McGowan Calculated Property
Pc	1116.31	kPa	Joback Calculated Property
Inp	[2657.00; 2657.00]
Inp	2657.00		NIST
Inp	2657.00		NIST
Tboil	633.39	K	Relay (1.0) Calculated Property
Tc	870.73	K	Relay (1.0) Calculated Property
Tfus	295.13	K	Relay (1.0) Calculated Property
Vc	1.167	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	[985.00; 1085.47]	J/mol×K	[812.81; 1008.41]
Cp,gas	985.00	J/mol×K	812.81	Joback Calculated Property
Cp,gas	1004.53	J/mol×K	845.41	Joback Calculated Property
Cp,gas	1022.86	J/mol×K	878.01	Joback Calculated Property
Cp,gas	1040.06	J/mol×K	910.61	Joback Calculated Property
Cp,gas	1056.18	J/mol×K	943.21	Joback Calculated Property
Cp,gas	1071.30	J/mol×K	975.81	Joback Calculated Property
Cp,gas	1085.47	J/mol×K	1008.41	Joback Calculated Property
η	[0.0001667; 0.0017014]	Pa×s	[431.42; 812.81]
η	0.0017014	Pa×s	431.42	Joback Calculated Property
η	0.0009010	Pa×s	494.98	Joback Calculated Property
η	0.0005514	Pa×s	558.55	Joback Calculated Property
η	0.0003731	Pa×s	622.12	Joback Calculated Property
η	0.0002714	Pa×s	685.68	Joback Calculated Property
η	0.0002084	Pa×s	749.24	Joback Calculated Property
η	0.0001667	Pa×s	812.81	Joback Calculated Property

Similar Compounds

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

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.