Chemical Properties of 1,1,4,7-Tetramethyl-1a,2,3,4,6,7,7a,7b-octahydro-1H-cyclopropa[e]azulene (CAS 405112-35-8)

InChI

InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h7,9-10,12-14H,5-6,8H2,1-4H3

InChI Key

KDDAGEWDPAMROQ-UHFFFAOYSA-N

Formula

C15H24

SMILES

CC1CCC2C(C3C1=CCC3C)C2(C)C

Molecular Weight¹

204.35

CAS

405112-35-8

• 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).
• 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.
• 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
ΔfG°	225.18	kJ/mol	Joback Calculated Property
ΔfH°gas	-146.32	kJ/mol	Joback Calculated Property
ΔfusH°	22.56	kJ/mol	Joback Calculated Property
ΔvapH°	47.94	kJ/mol	Joback Calculated Property
log10WS	-4.19		Crippen Calculated Property
logPoct/wat	4.271		Crippen Calculated Property
McVol	185.330	ml/mol	McGowan Calculated Property
Pc	1973.55	kPa	Joback Calculated Property
Inp	[1446.80; 1446.80]
Inp	1446.80		NIST
Inp	1446.80		NIST
Tboil	561.73	K	Joback Calculated Property
Tc	778.35	K	Joback Calculated Property
Tfus	330.05	K	Joback Calculated Property
Vc	0.712	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[505.21; 627.64]	J/mol×K	[561.73; 778.35]
Cp,gas	505.21	J/mol×K	561.73	Joback Calculated Property
Cp,gas	528.79	J/mol×K	597.83	Joback Calculated Property
Cp,gas	550.88	J/mol×K	633.94	Joback Calculated Property
Cp,gas	571.64	J/mol×K	670.04	Joback Calculated Property
Cp,gas	591.24	J/mol×K	706.14	Joback Calculated Property
Cp,gas	609.85	J/mol×K	742.24	Joback Calculated Property
Cp,gas	627.64	J/mol×K	778.35	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,1,4,7-Tetramethyl-1a,2,3,4,6,7,7a,7b-octahydro-1H-cyclopropa[e]azulene.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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