Chemical Properties of 3-Ethyl-1,1-dimethylcyclopentane

InChI

InChI=1S/C9H18/c1-4-8-5-6-9(2,3)7-8/h8H,4-7H2,1-3H3

InChI Key

WXHYOGXBESCULU-UHFFFAOYSA-N

Formula

C9H18

SMILES

CCC1CCC(C)(C)C1

Molecular Weight¹

126.24

Other Names

• 3-Ethyl-1,1-dimethylcyclopentane

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	7.77	kJ/mol	Joback Calculated Property
ΔvapH°	41.36	kJ/mol	Relay (1.0) Calculated Property
IE	9.07	eV	Relay (1.0) Calculated Property
log10WS	-4.74		Relay (1.0) Calculated Property
logPoct/wat	3.223		Crippen Calculated Property
McVol	126.810	ml/mol	McGowan Calculated Property
Inp	[821.00; 830.20]
Inp	824.60		NIST
Inp	828.60		NIST
Inp	830.00		NIST
Inp	830.20		NIST
Inp	821.00		NIST
Inp	824.00		NIST
Inp	825.00		NIST
Inp	827.00		NIST
Inp	830.00		NIST
Inp	821.00		NIST
Tboil	401.60	K	Relay (1.0) Calculated Property
Tfus	160.95	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[256.68; 352.15]	J/mol×K	[416.17; 615.40]
Cp,gas	256.68	J/mol×K	416.17	Joback Calculated Property
Cp,gas	275.18	J/mol×K	449.38	Joback Calculated Property
Cp,gas	292.53	J/mol×K	482.58	Joback Calculated Property
Cp,gas	308.81	J/mol×K	515.79	Joback Calculated Property
Cp,gas	324.12	J/mol×K	548.99	Joback Calculated Property
Cp,gas	338.53	J/mol×K	582.20	Joback Calculated Property
Cp,gas	352.15	J/mol×K	615.40	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Ethyl-1,1-dimethylcyclopentane.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.