Chemical Properties of (3aRS,4SR,7aRS)-(Octahydro-1H-inden-4-yl) methanol

InChI

InChI=1S/C10H18O/c11-7-9-5-1-3-8-4-2-6-10(8)9/h8-11H,1-7H2

InChI Key

JAZXFQSTFJATMJ-UHFFFAOYSA-N

Formula

C10H18O

SMILES

OCC1CCCC2CCCC12

Molecular Weight¹

154.25

• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I : 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°	16.79	kJ/mol	Joback Calculated Property
IE	9.14	eV	Relay (1.0) Calculated Property
logPoct/wat	2.195		Crippen Calculated Property
McVol	135.910	ml/mol	McGowan Calculated Property
Inp	[1316.00; 1316.00]
Inp	1316.00		NIST
Inp	1316.00		NIST
I	2006.00		NIST
Tboil	514.76	K	Relay (1.0) Calculated Property
Tfus	320.32	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization 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	[355.90; 447.46]	J/mol×K	[542.20; 741.71]
Cp,gas	355.90	J/mol×K	542.20	Joback Calculated Property
Cp,gas	373.52	J/mol×K	575.45	Joback Calculated Property
Cp,gas	390.15	J/mol×K	608.70	Joback Calculated Property
Cp,gas	405.81	J/mol×K	641.95	Joback Calculated Property
Cp,gas	420.55	J/mol×K	675.21	Joback Calculated Property
Cp,gas	434.42	J/mol×K	708.46	Joback Calculated Property
Cp,gas	447.46	J/mol×K	741.71	Joback Calculated Property
η	[0.0002879; 0.0142324]	Pa×s	[284.36; 542.20]
η	0.0142324	Pa×s	284.36	Joback Calculated Property
η	0.0048487	Pa×s	327.33	Joback Calculated Property
η	0.0021209	Pa×s	370.31	Joback Calculated Property
η	0.0011018	Pa×s	413.28	Joback Calculated Property
η	0.0006475	Pa×s	456.25	Joback Calculated Property
η	0.0004170	Pa×s	499.23	Joback Calculated Property
η	0.0002879	Pa×s	542.20	Joback Calculated Property

Similar Compounds

Find more compounds similar to (3aRS,4SR,7aRS)-(Octahydro-1H-inden-4-yl) methanol.

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.
These property values are available through the Cheméo API. A free account gives you an access key.