Chemical Properties of 1H-Indene, 2,3,3a,4-tetrahydro-3,3a,6-trimethyl-1-(1-methylethyl)- (CAS 59742-39-1)

InChI

InChI=1S/C15H24/c1-10(2)13-9-12(4)15(5)7-6-11(3)8-14(13)15/h6,8,10,12-13H,7,9H2,1-5H3

InChI Key

IVBZYUKCNLJUDA-UHFFFAOYSA-N

Formula

C15H24

SMILES

CC1=CCC2(C)C(=C1)C(C(C)C)CC2C

Molecular Weight¹

204.35

CAS

59742-39-1

• 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°	185.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-143.57	kJ/mol	Joback Calculated Property
ΔfusH°	17.49	kJ/mol	Joback Calculated Property
ΔvapH°	49.39	kJ/mol	Joback Calculated Property
log10WS	-4.63		Crippen Calculated Property
logPoct/wat	4.581		Crippen Calculated Property
McVol	191.890	ml/mol	McGowan Calculated Property
Pc	1956.14	kPa	Joback Calculated Property
Inp	[1372.00; 1372.00]
Inp	1372.00		NIST
Inp	1372.00		NIST
Tboil	572.30	K	Joback Calculated Property
Tc	788.72	K	Joback Calculated Property
Tfus	315.35	K	Joback Calculated Property
Vc	0.729	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[500.17; 613.48]	J/mol×K	[572.30; 788.72]
Cp,gas	500.17	J/mol×K	572.30	Joback Calculated Property
Cp,gas	521.79	J/mol×K	608.37	Joback Calculated Property
Cp,gas	542.14	J/mol×K	644.44	Joback Calculated Property
Cp,gas	561.33	J/mol×K	680.51	Joback Calculated Property
Cp,gas	579.53	J/mol×K	716.58	Joback Calculated Property
Cp,gas	596.86	J/mol×K	752.65	Joback Calculated Property
Cp,gas	613.48	J/mol×K	788.72	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1H-Indene, 2,3,3a,4-tetrahydro-3,3a,6-trimethyl-1-(1-methylethyl)-.

Sources

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

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