Chemical Properties of 1-Butyn-3-one, 1-(6,6-dimethyl-1,2-epoxycyclohexyl)-

InChI

InChI=1S/C12H16O2/c1-9(13)6-8-12-10(14-12)5-4-7-11(12,2)3/h10H,4-5,7H2,1-3H3

InChI Key

ITPNMZLJZQEEOU-UHFFFAOYSA-N

Formula

C12H16O2

SMILES

CC(=O)C#CC12OC1CCCC2(C)C

Molecular Weight¹

192.25

• 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).
• 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
ΔfG°	128.63	kJ/mol	Joback Calculated Property
ΔfH°gas	-113.71	kJ/mol	Joback Calculated Property
ΔfusH°	22.18	kJ/mol	Joback Calculated Property
ΔvapH°	53.10	kJ/mol	Joback Calculated Property
log10WS	-2.78		Crippen Calculated Property
logPoct/wat	1.926		Crippen Calculated Property
McVol	157.060	ml/mol	McGowan Calculated Property
Pc	3038.96	kPa	Joback Calculated Property
Inp	[1462.00; 1462.00]
Inp	1462.00		NIST
Inp	1462.00		NIST
Tboil	577.34	K	Joback Calculated Property
Tc	821.61	K	Joback Calculated Property
Tfus	483.52	K	Joback Calculated Property
Vc	0.598	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[404.63; 495.73]	J/mol×K	[577.34; 821.61]
Cp,gas	404.63	J/mol×K	577.34	Joback Calculated Property
Cp,gas	421.77	J/mol×K	618.05	Joback Calculated Property
Cp,gas	437.67	J/mol×K	658.76	Joback Calculated Property
Cp,gas	452.69	J/mol×K	699.47	Joback Calculated Property
Cp,gas	467.14	J/mol×K	740.18	Joback Calculated Property
Cp,gas	481.38	J/mol×K	780.89	Joback Calculated Property
Cp,gas	495.73	J/mol×K	821.61	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Butyn-3-one, 1-(6,6-dimethyl-1,2-epoxycyclohexyl)-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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