Chemical Properties of 1H-Inden-3-ol, 2,3,3a,4,5,6-hexahydro-2,2-dimethyl-5-methylene-7-hydroxymethyl

InChI

InChI=1S/C13H20O2/c1-8-4-9(7-14)11-6-13(2,3)12(15)10(11)5-8/h10,12,14-15H,1,4-7H2,2-3H3

InChI Key

VCIVBLZCBOWLMD-UHFFFAOYSA-N

Formula

C13H20O2

SMILES

C=C1CC(CO)=C2CC(C)(C)C(O)C2C1

Molecular Weight¹

208.30

• ω : Acentric Factor.
• 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).
• 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• I : 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
ω	0.6073		Relay (1.0) Calculated Property
ΔfG°	-79.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-262.09	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.63	kJ/mol	Joback Calculated Property
ΔvapH°	100.58	kJ/mol	Relay (1.0) Calculated Property
IE	8.86	eV	Relay (1.0) Calculated Property
log10WS	-2.07		Relay (1.0) Calculated Property
logPoct/wat	2.032		Crippen Calculated Property
McVol	175.450	ml/mol	McGowan Calculated Property
Pc	2741.15	kPa	Joback Calculated Property
Inp	1849.00		NIST
I	[3118.00; 3118.00]
I	3118.00		NIST
I	3118.00		NIST
Tboil	574.29	K	Relay (1.0) Calculated Property
Tc	823.90	K	Relay (1.0) Calculated Property
Tfus	402.85	K	Relay (1.0) Calculated Property
Vc	0.592	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[523.67; 600.57]	J/mol×K	[711.34; 904.56]
Cp,gas	523.67	J/mol×K	711.34	Joback Calculated Property
Cp,gas	537.43	J/mol×K	743.54	Joback Calculated Property
Cp,gas	550.68	J/mol×K	775.75	Joback Calculated Property
Cp,gas	563.53	J/mol×K	807.95	Joback Calculated Property
Cp,gas	576.07	J/mol×K	840.16	Joback Calculated Property
Cp,gas	588.38	J/mol×K	872.36	Joback Calculated Property
Cp,gas	600.57	J/mol×K	904.56	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1H-Inden-3-ol, 2,3,3a,4,5,6-hexahydro-2,2-dimethyl-5-methylene-7-hydroxymethyl.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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