Chemical Properties of 2-Cyclopenten-1-one, 2-hydroxy-3,4,4-trimethyl

InChI

InChI=1S/C8H12O2/c1-5-7(10)6(9)4-8(5,2)3/h10H,4H2,1-3H3

InChI Key

LTRJTLUJZFBIEN-UHFFFAOYSA-N

Formula

C8H12O2

SMILES

CC1=C(O)C(=O)CC1(C)C

Molecular Weight¹

140.18

Other Names

• 2-Hydroxy-3,4,4-trimethyl-2-cyclopenten-1-one

• 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.
• 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
ΔfG°	-201.17	kJ/mol	Joback Calculated Property
ΔfH°gas	-387.82	kJ/mol	Joback Calculated Property
ΔfusH°	8.15	kJ/mol	Joback Calculated Property
ΔvapH°	55.05	kJ/mol	Joback Calculated Property
log10WS	-1.78		Crippen Calculated Property
logPoct/wat	1.817		Crippen Calculated Property
McVol	115.860	ml/mol	McGowan Calculated Property
Pc	3773.04	kPa	Joback Calculated Property
Inp	1088.00		NIST
I	[1753.00; 1753.00]
I	1753.00		NIST
I	1753.00		NIST
I	1753.00		NIST
Tboil	567.08	K	Joback Calculated Property
Tc	776.99	K	Joback Calculated Property
Tfus	369.56	K	Joback Calculated Property
Vc	0.434	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[282.31; 344.24]	J/mol×K	[567.08; 776.99]
Cp,gas	282.31	J/mol×K	567.08	Joback Calculated Property
Cp,gas	293.74	J/mol×K	602.07	Joback Calculated Property
Cp,gas	304.63	J/mol×K	637.05	Joback Calculated Property
Cp,gas	315.05	J/mol×K	672.04	Joback Calculated Property
Cp,gas	325.08	J/mol×K	707.02	Joback Calculated Property
Cp,gas	334.79	J/mol×K	742.01	Joback Calculated Property
Cp,gas	344.24	J/mol×K	776.99	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Cyclopenten-1-one, 2-hydroxy-3,4,4-trimethyl.

Sources

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

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