Chemical Properties of 2-Cyclopenten-1-one, 3,4,5-trimethyl- (CAS 55683-21-1)

InChI

InChI=1S/C8H12O/c1-5-4-8(9)7(3)6(5)2/h4,6-7H,1-3H3

InChI Key

LPBXNOSWWUFYQN-UHFFFAOYSA-N

Formula

C8H12O

SMILES

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

Molecular Weight¹

124.18

CAS

55683-21-1

Other Names

• 3,4,5-Trimethyl-2-cyclopenten-1-one

• 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	0.3275		Relay (... Calculated Property
ΔfG°	-56.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-190.19	kJ/mol	Relay (... Calculated Property
ΔfusH°	11.82	kJ/mol	Joback Calculated Property
ΔvapH°	52.44	kJ/mol	Relay (... Calculated Property
IE	9.29	eV	Relay (... Calculated Property
log10WS	-1.63		Relay (... Calculated Property
logPoct/wat	1.788		Crippen Calculated Property
McVol	109.990	ml/mol	McGowan Calculated Property
Pc	3145.56	kPa	Joback Calculated Property
Inp	[1063.00; 1063.00]
Inp	1063.00		NIST
Inp	1063.00		NIST
I	1483.00		NIST
Tboil	447.19	K	Relay (... Calculated Property
Tc	654.81	K	Relay (... Calculated Property
Tfus	309.52	K	Relay (... Calculated Property
Vc	0.379	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[233.35; 311.72]	J/mol×K	[465.01; 680.18]
Cp,gas	233.35	J/mol×K	465.01	Joback Calculated Property
Cp,gas	247.85	J/mol×K	500.87	Joback Calculated Property
Cp,gas	261.78	J/mol×K	536.73	Joback Calculated Property
Cp,gas	275.15	J/mol×K	572.60	Joback Calculated Property
Cp,gas	287.93	J/mol×K	608.46	Joback Calculated Property
Cp,gas	300.13	J/mol×K	644.32	Joback Calculated Property
Cp,gas	311.72	J/mol×K	680.18	Joback Calculated Property

Similar Compounds

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

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.