Chemical Properties of (3aS,4R,7R)-1,4,9,9-Tetramethyl-5,6,7,8-tetrahydro-4H-3a,7-methanoazulene (CAS 50430-14-3)

InChI

InChI=1S/C15H22/c1-10-7-8-15-11(2)5-6-12(9-13(10)15)14(15,3)4/h7-8,11-12H,5-6,9H2,1-4H3

InChI Key

DPHLFUXQEZYZAP-UHFFFAOYSA-N

Formula

C15H22

SMILES

CC1=C2CC3CCC(C)C2(C=C1)C3(C)C

Molecular Weight¹

202.34

CAS

50430-14-3

• 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°	255.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-44.09	kJ/mol	Joback Calculated Property
ΔfusH°	14.95	kJ/mol	Joback Calculated Property
ΔvapH°	48.36	kJ/mol	Joback Calculated Property
log10WS	-4.53		Crippen Calculated Property
logPoct/wat	4.335		Crippen Calculated Property
McVol	181.030	ml/mol	McGowan Calculated Property
Pc	2227.09	kPa	Joback Calculated Property
Inp	[1351.00; 1369.40]
Inp	1369.40		NIST
Inp	1351.00		NIST
Inp	1351.00		NIST
Inp	1351.00		NIST
Tboil	575.45	K	Joback Calculated Property
Tc	804.27	K	Joback Calculated Property
Tfus	375.71	K	Joback Calculated Property
Vc	0.698	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[483.52; 593.73]	J/mol×K	[575.45; 804.27]
Cp,gas	483.52	J/mol×K	575.45	Joback Calculated Property
Cp,gas	504.45	J/mol×K	613.59	Joback Calculated Property
Cp,gas	523.95	J/mol×K	651.72	Joback Calculated Property
Cp,gas	542.31	J/mol×K	689.86	Joback Calculated Property
Cp,gas	559.86	J/mol×K	728.00	Joback Calculated Property
Cp,gas	576.90	J/mol×K	766.14	Joback Calculated Property
Cp,gas	593.73	J/mol×K	804.27	Joback Calculated Property

Similar Compounds

Find more compounds similar to (3aS,4R,7R)-1,4,9,9-Tetramethyl-5,6,7,8-tetrahydro-4H-3a,7-methanoazulene.

Sources

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

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