Chemical Properties of Cyclopropanecarboxylic acid, trans-2-phenyl-, dodec-2-en-1-yl ester

InChI

InChI=1S/C22H32O2/c1-2-3-4-5-6-7-8-9-10-14-17-24-22(23)21-18-20(21)19-15-12-11-13-16-19/h10-16,20-21H,2-9,17-18H2,1H3/b14-10+

InChI Key

HTMWCOPTAPSNJJ-GXDHUFHOSA-N

Formula

C22H32O2

SMILES

CCCCCCCCCC=CCOC(=O)C1CC1c1ccccc1

Molecular Weight¹

328.49

• 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	0.7873		Relay (1.0) Calculated Property
ΔfG°	146.11	kJ/mol	Joback Calculated Property
ΔfH°gas	-414.31	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	48.97	kJ/mol	Joback Calculated Property
ΔvapH°	103.54	kJ/mol	Relay (1.0) Calculated Property
IE	8.76	eV	Relay (1.0) Calculated Property
log10WS	-6.25		Relay (1.0) Calculated Property
logPoct/wat	6.030		Crippen Calculated Property
McVol	289.360	ml/mol	McGowan Calculated Property
Pc	1271.87	kPa	Joback Calculated Property
Inp	[2554.00; 2554.00]
Inp	2554.00		NIST
Inp	2554.00		NIST
Tboil	624.49	K	Relay (1.0) Calculated Property
Tc	862.92	K	Relay (1.0) Calculated Property
Tfus	286.99	K	Relay (1.0) Calculated Property
Vc	1.056	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[907.36; 1005.04]	J/mol×K	[811.96; 1014.41]
Cp,gas	907.36	J/mol×K	811.96	Joback Calculated Property
Cp,gas	926.14	J/mol×K	845.70	Joback Calculated Property
Cp,gas	943.82	J/mol×K	879.44	Joback Calculated Property
Cp,gas	960.47	J/mol×K	913.19	Joback Calculated Property
Cp,gas	976.18	J/mol×K	946.93	Joback Calculated Property
Cp,gas	991.01	J/mol×K	980.67	Joback Calculated Property
Cp,gas	1005.04	J/mol×K	1014.41	Joback Calculated Property
η	[0.0001892; 0.0014384]	Pa×s	[444.90; 811.96]
η	0.0014384	Pa×s	444.90	Joback Calculated Property
η	0.0008362	Pa×s	506.08	Joback Calculated Property
η	0.0005464	Pa×s	567.25	Joback Calculated Property
η	0.0003879	Pa×s	628.43	Joback Calculated Property
η	0.0002926	Pa×s	689.61	Joback Calculated Property
η	0.0002312	Pa×s	750.78	Joback Calculated Property
η	0.0001892	Pa×s	811.96	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyclopropanecarboxylic acid, trans-2-phenyl-, dodec-2-en-1-yl ester.

Sources

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

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