Chemical Properties of Cyclopropanecarboxylic acid, trans-2-phenyl-, 2,7-dimethyloct-1-en-3-yn-5-yl ester

InChI

InChI=1S/C20H24O2/c1-14(2)10-11-17(12-15(3)4)22-20(21)19-13-18(19)16-8-6-5-7-9-16/h5-9,15,17-19H,1,12-13H2,2-4H3

InChI Key

SVNDBXNNCSRFAN-UHFFFAOYSA-N

Formula

C20H24O2

SMILES

C=C(C)C#CC(CC(C)C)OC(=O)C1CC1c1ccccc1

Molecular Weight¹

296.40

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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	0.5371		Relay (1.0) Calculated Property
ΔfG°	326.26	kJ/mol	Joback Calculated Property
ΔfH°gas	-90.12	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.08	kJ/mol	Joback Calculated Property
ΔvapH°	93.63	kJ/mol	Relay (1.0) Calculated Property
IE	8.52	eV	Relay (1.0) Calculated Property
log10WS	-5.05		Relay (1.0) Calculated Property
logPoct/wat	4.328		Crippen Calculated Property
McVol	252.580	ml/mol	McGowan Calculated Property
Pc	1678.28	kPa	Joback Calculated Property
Inp	[2118.00; 2118.00]
Inp	2118.00		NIST
Inp	2118.00		NIST
Tboil	583.96	K	Relay (1.0) Calculated Property
Tc	838.79	K	Relay (1.0) Calculated Property
Tfus	316.19	K	Relay (1.0) Calculated Property
Vc	0.897	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[741.07; 836.42]	J/mol×K	[766.72; 996.11]
Cp,gas	741.07	J/mol×K	766.72	Joback Calculated Property
Cp,gas	759.97	J/mol×K	804.95	Joback Calculated Property
Cp,gas	777.54	J/mol×K	843.18	Joback Calculated Property
Cp,gas	793.89	J/mol×K	881.41	Joback Calculated Property
Cp,gas	809.10	J/mol×K	919.64	Joback Calculated Property
Cp,gas	823.24	J/mol×K	957.88	Joback Calculated Property
Cp,gas	836.42	J/mol×K	996.11	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyclopropanecarboxylic acid, trans-2-phenyl-, 2,7-dimethyloct-1-en-3-yn-5-yl ester.

Sources

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

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