Chemical Properties of Thymyl tiglate

InChI

InChI=1S/C15H20O2/c1-6-12(5)15(16)17-14-9-11(4)7-8-13(14)10(2)3/h6-10H,1-5H3/b12-6+

InChI Key

UUEIVUJSJLKAAM-WUXMJOGZSA-N

Formula

C15H20O2

SMILES

CC=C(C)C(=O)Oc1cc(C)ccc1C(C)C

Molecular Weight¹

232.32

• 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.
• I : 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	0.5991		Relay (1.0) Calculated Property
ΔfG°	3.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-350.38	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	26.03	kJ/mol	Joback Calculated Property
ΔvapH°	74.97	kJ/mol	Relay (1.0) Calculated Property
IE	7.99	eV	Relay (1.0) Calculated Property
log10WS	-4.36		Relay (1.0) Calculated Property
logPoct/wat	3.990		Crippen Calculated Property
McVol	201.590	ml/mol	McGowan Calculated Property
Pc	1982.35	kPa	Joback Calculated Property
Inp	[1634.00; 1634.00]
Inp	1634.00		NIST
Inp	1634.00		NIST
I	[2169.00; 2169.00]
I	2169.00		NIST
I	2169.00		NIST
Tboil	553.65	K	Relay (1.0) Calculated Property
Tc	773.46	K	Relay (1.0) Calculated Property
Tfus	302.35	K	Relay (1.0) Calculated Property
Vc	0.720	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[524.22; 609.35]	J/mol×K	[659.13; 873.07]
Cp,gas	524.22	J/mol×K	659.13	Joback Calculated Property
Cp,gas	540.72	J/mol×K	694.79	Joback Calculated Property
Cp,gas	556.26	J/mol×K	730.44	Joback Calculated Property
Cp,gas	570.85	J/mol×K	766.10	Joback Calculated Property
Cp,gas	584.54	J/mol×K	801.76	Joback Calculated Property
Cp,gas	597.36	J/mol×K	837.42	Joback Calculated Property
Cp,gas	609.35	J/mol×K	873.07	Joback Calculated Property

Similar Compounds

Find more compounds similar to Thymyl tiglate.

Sources

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

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