Chemical Properties of (1R,1aR,2aS,6R,6aS,7aS)-1,6,6a-Trimethyldecahydro-1,2a-methanocyclopropa[b]naphthalene (CAS 26620-70-2)

InChI

InChI=1S/C15H24/c1-10-5-4-6-15-8-12-11(7-14(10,15)3)13(12,2)9-15/h10-12H,4-9H2,1-3H3

InChI Key

XGEWXQPYPMTSBD-UHFFFAOYSA-N

Formula

C15H24

SMILES

CC1CCCC23CC4C(CC12C)C4(C)C3

Molecular Weight¹

204.35

CAS

26620-70-2

Other Names

• Ishwaran
• Ishwarane
• (-)-Ishwarane
• 1,2a-Methano-2aH-cyclopropa[b]naphthalene, decahydro-1,6,6a-trimethyl-, [1R-(1«alpha»,1a«beta»,2a«alpha»,6«beta»,6a«beta»,7a«alpha»)]-

• 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	0.3524		Relay (1.0) Calculated Property
ΔfG°	286.53	kJ/mol	Joback Calculated Property
ΔfH°gas	3.04	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	10.39	kJ/mol	Joback Calculated Property
ΔvapH°	62.74	kJ/mol	Relay (1.0) Calculated Property
IE	8.60	eV	Relay (1.0) Calculated Property
log10WS	-5.59		Relay (1.0) Calculated Property
logPoct/wat	4.249		Crippen Calculated Property
McVol	178.770	ml/mol	McGowan Calculated Property
Pc	2336.03	kPa	Joback Calculated Property
Inp	[1455.00; 1473.00]
Inp	1463.00		NIST
Inp	1460.00		NIST
Inp	1467.00		NIST
Inp	1458.00		NIST
Inp	1457.00		NIST
Inp	1455.00		NIST
Inp	1473.00		NIST
I	[1631.00; 1644.00]
I	1636.00		NIST
I	1631.00		NIST
I	1644.00		NIST
Tboil	521.42	K	Relay (1.0) Calculated Property
Tc	796.03	K	Relay (1.0) Calculated Property
Tfus	390.54	K	Relay (1.0) Calculated Property
Vc	0.673	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[504.93; 626.43]	J/mol×K	[560.94; 793.13]
Cp,gas	504.93	J/mol×K	560.94	Joback Calculated Property
Cp,gas	528.33	J/mol×K	599.64	Joback Calculated Property
Cp,gas	549.82	J/mol×K	638.34	Joback Calculated Property
Cp,gas	569.89	J/mol×K	677.04	Joback Calculated Property
Cp,gas	589.02	J/mol×K	715.74	Joback Calculated Property
Cp,gas	607.70	J/mol×K	754.43	Joback Calculated Property
Cp,gas	626.43	J/mol×K	793.13	Joback Calculated Property

Similar Compounds

Find more compounds similar to (1R,1aR,2aS,6R,6aS,7aS)-1,6,6a-Trimethyldecahydro-1,2a-methanocyclopropa[b]naphthalene.

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.