Chemical Properties of 2-Cyclopenten-1-one, 2-hydroxy-3,4,5-trimethyl, cis

InChI

InChI=1S/C8H12O2/c1-4-5(2)7(9)8(10)6(4)3/h4-5,10H,1-3H3/t4-,5+/m1/s1

InChI Key

RMXYMRMUZJILGN-UHNVWZDZSA-N

Formula

C8H12O2

SMILES

CC1=C(O)C(=O)C(C)C1C

Molecular Weight¹

140.18

Other Names

• cis-2-Hydroxy-3,4,5-trimethyl-2-cyclopenten-1-one
• cis-2-Cyclopenten-1-one, 2-hydroxy-3,4,5-trimethyl

• 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°	-203.39	kJ/mol	Joback Calculated Property
ΔfH°gas	-423.40	kJ/mol	Joback Calculated Property
ΔfusH°	15.52	kJ/mol	Joback Calculated Property
ΔvapH°	55.89	kJ/mol	Joback Calculated Property
log10WS	-1.54		Crippen Calculated Property
logPoct/wat	1.673		Crippen Calculated Property
McVol	115.860	ml/mol	McGowan Calculated Property
Pc	3435.91	kPa	Joback Calculated Property
Inp	[1138.00; 1138.00]
Inp	1138.00		NIST
Inp	1138.00		NIST
I	[1826.00; 1826.00]
I	1826.00		NIST
I	1826.00		NIST
I	1826.00		NIST
Tboil	562.17	K	Joback Calculated Property
Tc	764.08	K	Joback Calculated Property
Tfus	341.42	K	Joback Calculated Property
Vc	0.435	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[285.47; 351.19]	J/mol×K	[562.17; 764.08]
Cp,gas	285.47	J/mol×K	562.17	Joback Calculated Property
Cp,gas	297.71	J/mol×K	595.82	Joback Calculated Property
Cp,gas	309.44	J/mol×K	629.47	Joback Calculated Property
Cp,gas	320.67	J/mol×K	663.12	Joback Calculated Property
Cp,gas	331.38	J/mol×K	696.77	Joback Calculated Property
Cp,gas	341.56	J/mol×K	730.42	Joback Calculated Property
Cp,gas	351.19	J/mol×K	764.08	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Cyclopenten-1-one, 2-hydroxy-3,4,5-trimethyl, cis.

Sources

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

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