Chemical Properties of 8,9-Dehydrothymyl 2-methylbutyrate

InChI

InChI=1S/C15H20O2/c1-6-12(5)15(16)17-14-9-11(4)7-8-13(14)10(2)3/h7-9,12H,2,6H2,1,3-5H3

InChI Key

RYPOODIIYISZHI-UHFFFAOYSA-N

Formula

C15H20O2

SMILES

C=C(C)c1ccc(C)cc1OC(=O)C(C)CC

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	0.6403		Relay (... Calculated Property
ΔfG°	11.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-369.49	kJ/mol	Relay (... Calculated Property
ΔfusH°	24.54	kJ/mol	Joback Calculated Property
ΔvapH°	73.10	kJ/mol	Relay (... Calculated Property
IE	7.94	eV	Relay (... Calculated Property
log10WS	-3.96		Relay (... Calculated Property
logPoct/wat	3.980		Crippen Calculated Property
McVol	201.590	ml/mol	McGowan Calculated Property
Pc	1964.82	kPa	Joback Calculated Property
Inp	[1548.00; 1548.00]
Inp	1548.00		NIST
Inp	1548.00		NIST
Inp	1548.00		NIST
I	[1996.00; 1996.00]
I	1996.00		NIST
I	1996.00		NIST
I	1996.00		NIST
Tboil	548.67	K	Relay (... Calculated Property
Tc	767.87	K	Relay (... Calculated Property
Tfus	290.04	K	Relay (... Calculated Property
Vc	0.723	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[523.30; 608.23]	J/mol×K	[651.65; 861.36]
Cp,gas	523.30	J/mol×K	651.65	Joback Calculated Property
Cp,gas	539.74	J/mol×K	686.60	Joback Calculated Property
Cp,gas	555.22	J/mol×K	721.55	Joback Calculated Property
Cp,gas	569.79	J/mol×K	756.51	Joback Calculated Property
Cp,gas	583.47	J/mol×K	791.46	Joback Calculated Property
Cp,gas	596.27	J/mol×K	826.41	Joback Calculated Property
Cp,gas	608.23	J/mol×K	861.36	Joback Calculated Property

Similar Compounds

Find more compounds similar to 8,9-Dehydrothymyl 2-methylbutyrate.

Sources

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

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