Chemical Properties of trans-Verbenyl laureate

InChI

InChI=1S/C22H38O2/c1-5-6-7-8-9-10-11-12-13-14-21(23)24-20-15-17(2)18-16-19(20)22(18,3)4/h15,18-20H,5-14,16H2,1-4H3

InChI Key

HALFTOAKQHSZDB-UHFFFAOYSA-N

Formula

C22H38O2

SMILES

CCCCCCCCCCCC(=O)OC1C=C(C)C2CC1C2(C)C

Molecular Weight¹

334.54

• 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	0.7929		Relay (1.0) Calculated Property
ΔfG°	9.26	kJ/mol	Joback Calculated Property
ΔfH°gas	-609.17	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	46.37	kJ/mol	Joback Calculated Property
ΔvapH°	99.45	kJ/mol	Relay (1.0) Calculated Property
IE	8.80	eV	Relay (1.0) Calculated Property
log10WS	-6.53		Relay (1.0) Calculated Property
logPoct/wat	6.441		Crippen Calculated Property
McVol	302.260	ml/mol	McGowan Calculated Property
Pc	1111.85	kPa	Joback Calculated Property
Inp	[2276.60; 2276.60]
Inp	2276.60		NIST
Inp	2276.60		NIST
Tboil	601.43	K	Relay (1.0) Calculated Property
Tc	853.99	K	Relay (1.0) Calculated Property
Tfus	313.88	K	Relay (1.0) Calculated Property
Vc	1.095	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[979.49; 1099.82]	J/mol×K	[791.84; 983.74]
Cp,gas	979.49	J/mol×K	791.84	Joback Calculated Property
Cp,gas	1000.99	J/mol×K	823.82	Joback Calculated Property
Cp,gas	1021.75	J/mol×K	855.81	Joback Calculated Property
Cp,gas	1041.91	J/mol×K	887.79	Joback Calculated Property
Cp,gas	1061.56	J/mol×K	919.78	Joback Calculated Property
Cp,gas	1080.83	J/mol×K	951.76	Joback Calculated Property
Cp,gas	1099.82	J/mol×K	983.74	Joback Calculated Property

Similar Compounds

Find more compounds similar to trans-Verbenyl laureate.

Sources

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

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