Chemical Properties of Calacorene (CAS 38599-17-6)

InChI

InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7-10,12H,6H2,1-4H3

InChI Key

YLIAZCIBLKJTKN-UHFFFAOYSA-N

Formula

C15H20

SMILES

Cc1ccc2c(c1)C(C(C)C)=CCC2C

Molecular Weight¹

200.32

CAS

38599-17-6

Other Names

• dihydro-1,6-dimethyl-4-(1-methylethyl)naphthalene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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.
• 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
ΔfG°	235.11	kJ/mol	Joback Calculated Property
ΔfH°gas	-31.67	kJ/mol	Joback Calculated Property
ΔfusH°	21.21	kJ/mol	Joback Calculated Property
ΔvapH°	53.23	kJ/mol	Joback Calculated Property
log10WS	-4.86		Crippen Calculated Property
logPoct/wat	4.542		Crippen Calculated Property
McVol	183.290	ml/mol	McGowan Calculated Property
Pc	2117.78	kPa	Joback Calculated Property
Inp	[1503.00; 1565.00]
Inp	1539.00		NIST
Inp	1547.00		NIST
Inp	1535.00		NIST
Inp	1546.00		NIST
Inp	1538.00		NIST
Inp	1538.00		NIST
Inp	1541.00		NIST
Inp	1562.00		NIST
Inp	Outlier 1503.00		NIST
Inp	1541.00		NIST
Inp	Outlier 1565.00		NIST
Inp	1507.00		NIST
Inp	1538.00		NIST
Inp	1534.00		NIST
Inp	1527.00		NIST
Inp	1509.00		NIST
Inp	1520.00		NIST
Inp	1542.00		NIST
Inp	1532.00		NIST
Inp	1520.00		NIST
Inp	1525.00		NIST
Inp	1541.00		NIST
Inp	1538.00		NIST
I	[1916.00; 1960.00]
I	Outlier 1960.00		NIST
I	1916.00		NIST
I	1916.00		NIST
I	1916.00		NIST
I	1916.00		NIST
I	1916.00		NIST
I	1932.00		NIST
I	1932.00		NIST
I	1932.00		NIST
I	1932.00		NIST
I	1932.00		NIST
I	1932.00		NIST
I	1932.00		NIST
I	1916.00		NIST
I	1926.00		NIST
I	1918.00		NIST
I	1917.00		NIST
I	1932.00		NIST
Tboil	593.95	K	Joback Calculated Property
Tc	815.53	K	Joback Calculated Property
Tfus	322.97	K	Joback Calculated Property
Vc	0.697	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[461.53; 559.31]	J/mol×K	[593.95; 815.53]
Cp,gas	461.53	J/mol×K	593.95	Joback Calculated Property
Cp,gas	480.53	J/mol×K	630.88	Joback Calculated Property
Cp,gas	498.37	J/mol×K	667.81	Joback Calculated Property
Cp,gas	515.11	J/mol×K	704.74	Joback Calculated Property
Cp,gas	530.81	J/mol×K	741.67	Joback Calculated Property
Cp,gas	545.52	J/mol×K	778.60	Joback Calculated Property
Cp,gas	559.31	J/mol×K	815.53	Joback Calculated Property
η	[0.0002728; 0.0015769]	Pa×s	[322.97; 593.95]
η	0.0015769	Pa×s	322.97	Joback Calculated Property
η	0.0009838	Pa×s	368.13	Joback Calculated Property
η	0.0006804	Pa×s	413.30	Joback Calculated Property
η	0.0005061	Pa×s	458.46	Joback Calculated Property
η	0.0003969	Pa×s	503.62	Joback Calculated Property
η	0.0003240	Pa×s	548.79	Joback Calculated Property
η	0.0002728	Pa×s	593.95	Joback Calculated Property

Similar Compounds

Find more compounds similar to Calacorene.

Sources

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

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.