Chemical Properties of «beta»-Calacorene (CAS 50277-34-4)

InChI

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

InChI Key

KFYISTOZYAKAPV-UHFFFAOYSA-N

Formula

C15H20

SMILES

C=C1CCC(C(C)C)c2cc(C)ccc21

Molecular Weight¹

200.32

CAS

50277-34-4

Other Names

• Calacorene B

• 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°	267.86	kJ/mol	Joback Calculated Property
ΔfH°gas	6.26	kJ/mol	Joback Calculated Property
ΔfusH°	19.22	kJ/mol	Joback Calculated Property
ΔvapH°	52.44	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	2113.89	kPa	Joback Calculated Property
Inp	[1526.00; 1578.00]
Inp	1566.00		NIST
Inp	1564.00		NIST
Inp	1543.00		NIST
Inp	1565.00		NIST
Inp	Outlier 1526.00		NIST
Inp	1570.00		NIST
Inp	1555.00		NIST
Inp	1546.00		NIST
Inp	1548.00		NIST
Inp	1543.00		NIST
Inp	1561.00		NIST
Inp	1555.00		NIST
Inp	1564.00		NIST
Inp	1555.00		NIST
Inp	1545.00		NIST
Inp	1548.00		NIST
Inp	1561.00		NIST
Inp	1562.00		NIST
Inp	1560.00		NIST
Inp	1548.00		NIST
Inp	1563.00		NIST
Inp	1561.00		NIST
Inp	1563.00		NIST
Inp	1555.00		NIST
Inp	1563.00		NIST
Inp	1550.00		NIST
Inp	Outlier 1535.00		NIST
Inp	1563.00		NIST
Inp	1573.50		NIST
Inp	1548.00		NIST
Inp	1571.00		NIST
Inp	1548.00		NIST
Inp	1566.00		NIST
Inp	1560.00		NIST
Inp	1548.00		NIST
Inp	1563.00		NIST
Inp	1563.00		NIST
Inp	Outlier 1527.00		NIST
Inp	1563.00		NIST
Inp	1562.00		NIST
Inp	1549.00		NIST
Inp	1564.00		NIST
Inp	1548.00		NIST
Inp	1565.00		NIST
Inp	1554.00		NIST
Inp	Outlier 1532.00		NIST
Inp	1566.00		NIST
Inp	1553.00		NIST
Inp	1548.00		NIST
Inp	1548.00		NIST
Inp	1547.00		NIST
Inp	1560.00		NIST
Inp	1559.00		NIST
Inp	1563.00		NIST
Inp	1548.00		NIST
Inp	1542.00		NIST
Inp	1550.00		NIST
Inp	1557.00		NIST
Inp	1566.00		NIST
Inp	1566.00		NIST
Inp	1563.00		NIST
Inp	1574.00		NIST
Inp	1549.00		NIST
Inp	1563.00		NIST
Inp	1541.00		NIST
Inp	1554.00		NIST
Inp	1554.00		NIST
Inp	1564.00		NIST
Inp	Outlier 1578.00		NIST
Inp	1547.00		NIST
Inp	1560.00		NIST
Inp	1576.00		NIST
Inp	1566.00		NIST
Inp	1566.00		NIST
Inp	1566.00		NIST
Inp	1563.00		NIST
Inp	1559.00		NIST
Inp	1563.00		NIST
Inp	1562.00		NIST
Inp	1551.00		NIST
Inp	1558.00		NIST
Inp	1555.00		NIST
Inp	1552.00		NIST
Inp	1548.00		NIST
Inp	1555.00		NIST
Inp	1560.00		NIST
Inp	1564.00		NIST
Inp	1566.00		NIST
Inp	1563.00		NIST
Inp	1552.00		NIST
Inp	1570.00		NIST
I	[1893.00; 1979.00]
I	1932.00		NIST
I	1935.00		NIST
I	1932.00		NIST
I	1939.00		NIST
I	1893.00		NIST
I	1913.00		NIST
I	1942.00		NIST
I	1960.00		NIST
I	1931.00		NIST
I	1955.00		NIST
I	1918.00		NIST
I	1956.00		NIST
I	1954.00		NIST
I	1915.00		NIST
I	1928.00		NIST
I	1912.00		NIST
I	1921.00		NIST
I	1918.00		NIST
I	1918.00		NIST
I	1918.00		NIST
I	1916.00		NIST
I	Outlier 1979.00		NIST
I	1912.00		NIST
I	1916.00		NIST
I	1913.00		NIST
I	1918.00		NIST
Tboil	588.97	K	Joback Calculated Property
Tc	809.35	K	Joback Calculated Property
Tfus	323.37	K	Joback Calculated Property
Vc	0.695	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[460.57; 559.47]	J/mol×K	[588.97; 809.35]
Cp,gas	460.57	J/mol×K	588.97	Joback Calculated Property
Cp,gas	479.77	J/mol×K	625.70	Joback Calculated Property
Cp,gas	497.82	J/mol×K	662.43	Joback Calculated Property
Cp,gas	514.76	J/mol×K	699.16	Joback Calculated Property
Cp,gas	530.64	J/mol×K	735.89	Joback Calculated Property
Cp,gas	545.53	J/mol×K	772.62	Joback Calculated Property
Cp,gas	559.47	J/mol×K	809.35	Joback Calculated Property
η	[0.0002992; 0.0016787]	Pa×s	[323.37; 588.97]
η	0.0016787	Pa×s	323.37	Joback Calculated Property
η	0.0010592	Pa×s	367.64	Joback Calculated Property
η	0.0007379	Pa×s	411.90	Joback Calculated Property
η	0.0005514	Pa×s	456.17	Joback Calculated Property
η	0.0004338	Pa×s	500.44	Joback Calculated Property
η	0.0003549	Pa×s	544.70	Joback Calculated Property
η	0.0002992	Pa×s	588.97	Joback Calculated Property

Similar Compounds

Find more compounds similar to «beta»-Calacorene.

Sources

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

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