Chemical Properties of 1,2,3,4,5-pentamethylcyclohexane (CAS 1839-64-1)

InChI

InChI=1S/C11H22/c1-7-6-8(2)10(4)11(5)9(7)3/h7-11H,6H2,1-5H3

InChI Key

OPJUNOQIDNTDPN-UHFFFAOYSA-N

Formula

C11H22

SMILES

CC1CC(C)C(C)C(C)C1C

Molecular Weight¹

154.29

CAS

1839-64-1

Other Names

• 1,2,3,4,5-pentamethylcyclohexane

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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°	20.36	kJ/mol	Joback Calculated Property
ΔvapH°	50.94	kJ/mol	Relay (1.0) Calculated Property
IE	9.08	eV	Relay (1.0) Calculated Property
logPoct/wat	3.571		Crippen Calculated Property
McVol	154.990	ml/mol	McGowan Calculated Property
Tboil	[463.00; 467.55]	K
Tboil	467.55 ± 1.50	K	NIST
Tboil	463.00 ± 6.00	K	NIST
Tfus	235.04	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, Log10 of Water solubility in mol/l 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	[345.24; 461.92]	J/mol×K	[451.95; 645.16]
Cp,gas	345.24	J/mol×K	451.95	Joback Calculated Property
Cp,gas	366.80	J/mol×K	484.15	Joback Calculated Property
Cp,gas	387.51	J/mol×K	516.35	Joback Calculated Property
Cp,gas	407.38	J/mol×K	548.55	Joback Calculated Property
Cp,gas	426.40	J/mol×K	580.76	Joback Calculated Property
Cp,gas	444.58	J/mol×K	612.96	Joback Calculated Property
Cp,gas	461.92	J/mol×K	645.16	Joback Calculated Property
η	[0.0002640; 0.0009574]	Pa×s	[204.15; 451.95]
η	0.0009574	Pa×s	204.15	Joback Calculated Property
η	0.0006447	Pa×s	245.45	Joback Calculated Property
η	0.0004865	Pa×s	286.75	Joback Calculated Property
η	0.0003941	Pa×s	328.05	Joback Calculated Property
η	0.0003347	Pa×s	369.35	Joback Calculated Property
η	0.0002937	Pa×s	410.65	Joback Calculated Property
η	0.0002640	Pa×s	451.95	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2,3,4,5-pentamethylcyclohexane.

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.