Chemical Properties of trans-Verbenyl caprate

InChI

InChI=1S/C20H34O2/c1-5-6-7-8-9-10-11-12-19(21)22-18-13-15(2)16-14-17(18)20(16,3)4/h13,16-18H,5-12,14H2,1-4H3

InChI Key

XMOYMWIGBAEZME-UHFFFAOYSA-N

Formula

C20H34O2

SMILES

CCCCCCCCCC(=O)OC1C=C(C)C2CC1C2(C)C

Molecular Weight¹

306.48

• 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	0.7180		Relay (1.0) Calculated Property
ΔfG°	-7.58	kJ/mol	Joback Calculated Property
ΔfH°gas	-564.90	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	41.19	kJ/mol	Joback Calculated Property
ΔvapH°	90.64	kJ/mol	Relay (1.0) Calculated Property
IE	8.73	eV	Relay (1.0) Calculated Property
log10WS	-5.87		Relay (1.0) Calculated Property
logPoct/wat	5.661		Crippen Calculated Property
McVol	274.080	ml/mol	McGowan Calculated Property
Pc	1269.16	kPa	Joback Calculated Property
Inp	[2072.50; 2072.50]
Inp	2072.50		NIST
Inp	2072.50		NIST
Tboil	585.11	K	Relay (1.0) Calculated Property
Tc	834.64	K	Relay (1.0) Calculated Property
Tfus	309.52	K	Relay (1.0) Calculated Property
Vc	0.985	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[858.00; 972.35]	J/mol×K	[746.08; 938.16]
Cp,gas	858.00	J/mol×K	746.08	Joback Calculated Property
Cp,gas	878.64	J/mol×K	778.09	Joback Calculated Property
Cp,gas	898.51	J/mol×K	810.11	Joback Calculated Property
Cp,gas	917.71	J/mol×K	842.12	Joback Calculated Property
Cp,gas	936.34	J/mol×K	874.14	Joback Calculated Property
Cp,gas	954.52	J/mol×K	906.15	Joback Calculated Property
Cp,gas	972.35	J/mol×K	938.16	Joback Calculated Property

Similar Compounds

Find more compounds similar to trans-Verbenyl caprate.

Sources

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

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