Chemical Properties of 2-ethyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-2-buten-1-ol (CAS 28219-61-6)

InChI

InChI=1S/C14H24O/c1-5-12(10-15)7-9-13-8-6-11(2)14(13,3)4/h6-7,13,15H,5,8-10H2,1-4H3/b12-7+

InChI Key

KHQDWCKZXLWDNM-KPKJPENVSA-N

Formula

C14H24O

SMILES

CCC(=CCC1CC=C(C)C1(C)C)CO

Molecular Weight¹

208.34

CAS

28219-61-6

Other Names

• 2-Ethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-1-ol

• 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°	45.53	kJ/mol	Joback Calculated Property
ΔfH°gas	-275.40	kJ/mol	Joback Calculated Property
ΔfusH°	24.54	kJ/mol	Joback Calculated Property
ΔvapH°	63.23	kJ/mol	Joback Calculated Property
log10WS	-4.06		Crippen Calculated Property
logPoct/wat	3.698		Crippen Calculated Property
McVol	194.530	ml/mol	McGowan Calculated Property
Pc	2066.12	kPa	Joback Calculated Property
Inp	[1558.60; 1558.60]
Inp	1558.60		NIST
Inp	1558.60		NIST
Tboil	630.93	K	Joback Calculated Property
Tc	821.94	K	Joback Calculated Property
Tfus	333.16	K	Joback Calculated Property
Vc	0.744	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[529.72; 618.84]	J/mol×K	[630.93; 821.94]
Cp,gas	529.72	J/mol×K	630.93	Joback Calculated Property
Cp,gas	546.17	J/mol×K	662.76	Joback Calculated Property
Cp,gas	561.85	J/mol×K	694.60	Joback Calculated Property
Cp,gas	576.86	J/mol×K	726.43	Joback Calculated Property
Cp,gas	591.30	J/mol×K	758.27	Joback Calculated Property
Cp,gas	605.26	J/mol×K	790.10	Joback Calculated Property
Cp,gas	618.84	J/mol×K	821.94	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-ethyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-2-buten-1-ol.

Sources

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

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