Chemical Properties of 1H-Inden-4,7-diol, 2,4,5,6,7,7a-hexahydro-2,7-dimethyl-5-methylene-6-cyclopropano-4a,2-oxamethyleno

InChI

InChI=1S/C15H22O3/c1-9-11(16)15-7-12(2,8-18-15)6-10(15)13(3,17)14(9)4-5-14/h10-11,16-17H,1,4-8H2,2-3H3

InChI Key

YOVYARHPUJHXQS-UHFFFAOYSA-N

Formula

C15H22O3

SMILES

C=C1C(O)C23CC(C)(CO2)CC3C(C)(O)C12CC2

Molecular Weight¹

250.33

• 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	0.5751		Relay (1.0) Calculated Property
ΔfG°	-37.74	kJ/mol	Joback Calculated Property
ΔfH°gas	-489.99	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.99	kJ/mol	Joback Calculated Property
ΔvapH°	110.45	kJ/mol	Relay (1.0) Calculated Property
IE	8.87	eV	Relay (1.0) Calculated Property
log10WS	-2.41		Relay (1.0) Calculated Property
logPoct/wat	1.634		Crippen Calculated Property
McVol	192.080	ml/mol	McGowan Calculated Property
Pc	3069.34	kPa	Joback Calculated Property
Inp	1788.00		NIST
I	[2931.00; 2931.00]
I	2931.00		NIST
I	2931.00		NIST
Tboil	577.22	K	Relay (1.0) Calculated Property
Tc	863.21	K	Relay (1.0) Calculated Property
Tfus	399.97	K	Relay (1.0) Calculated Property
Vc	0.752	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[642.85; 772.40]	J/mol×K	[775.92; 988.95]
Cp,gas	642.85	J/mol×K	775.92	Joback Calculated Property
Cp,gas	660.31	J/mol×K	811.43	Joback Calculated Property
Cp,gas	678.83	J/mol×K	846.93	Joback Calculated Property
Cp,gas	698.86	J/mol×K	882.44	Joback Calculated Property
Cp,gas	720.83	J/mol×K	917.94	Joback Calculated Property
Cp,gas	745.20	J/mol×K	953.45	Joback Calculated Property
Cp,gas	772.40	J/mol×K	988.95	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1H-Inden-4,7-diol, 2,4,5,6,7,7a-hexahydro-2,7-dimethyl-5-methylene-6-cyclopropano-4a,2-oxamethyleno.

Sources

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

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