Chemical Properties of trans-2-Isopropylcyclohexanol

InChI

InChI=1S/C9H18O/c1-7(2)8-5-3-4-6-9(8)10/h7-10H,3-6H2,1-2H3/t8-,9+/m0/s1

InChI Key

IXVGVVQGNQZQGD-BDAKNGLRSA-N

Formula

C9H18O

SMILES

CC(C)[C@@H]1CCCC[C@H]1O

Molecular Weight¹

142.24

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4568		Relay (1.0) Calculated Property
ΔfH°gas	-331.11	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	12.54	kJ/mol	Joback Calculated Property
ΔvapH°	72.92	kJ/mol	Relay (1.0) Calculated Property
IE	9.77	eV	Relay (1.0) Calculated Property
logPoct/wat	2.194		Crippen Calculated Property
McVol	132.680	ml/mol	McGowan Calculated Property
Pc	3052.41	kPa	Joback Calculated Property
Inp	[1123.00; 1123.00]
Inp	1123.00		NIST
Inp	1123.00		NIST
Tboil	475.79	K	Relay (1.0) Calculated Property
Tc	702.68	K	Relay (1.0) Calculated Property
Tfus	298.33	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, 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	[321.82; 408.80]	J/mol×K	[512.14; 704.30]
Cp,gas	321.82	J/mol×K	512.14	Joback Calculated Property
Cp,gas	338.23	J/mol×K	544.17	Joback Calculated Property
Cp,gas	353.85	J/mol×K	576.19	Joback Calculated Property
Cp,gas	368.70	J/mol×K	608.22	Joback Calculated Property
Cp,gas	382.79	J/mol×K	640.24	Joback Calculated Property
Cp,gas	396.15	J/mol×K	672.27	Joback Calculated Property
Cp,gas	408.80	J/mol×K	704.30	Joback Calculated Property
η	[0.0001521; 0.0730257]	Pa×s	[240.15; 512.14]
η	0.0730257	Pa×s	240.15	Joback Calculated Property
η	0.0115282	Pa×s	285.48	Joback Calculated Property
η	0.0030183	Pa×s	330.81	Joback Calculated Property
η	0.0010916	Pa×s	376.14	Joback Calculated Property
η	0.0004913	Pa×s	421.48	Joback Calculated Property
η	0.0002582	Pa×s	466.81	Joback Calculated Property
η	0.0001521	Pa×s	512.14	Joback Calculated Property

Similar Compounds

Find more compounds similar to trans-2-Isopropylcyclohexanol.

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.
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