Chemical Properties of Benzene, 1-methyl-4-(1,2,2-trimethylcyclopentyl)-, (R)- (CAS 16982-00-6)

InChI

InChI=1S/C15H22/c1-12-6-8-13(9-7-12)15(4)11-5-10-14(15,2)3/h6-9H,5,10-11H2,1-4H3/t15-/m0/s1

InChI Key

SLKPBCXNFNIJSV-HNNXBMFYSA-N

Formula

C15H22

SMILES

Cc1ccc(C2(C)CCCC2(C)C)cc1

Molecular Weight¹

202.34

CAS

16982-00-6

Other Names

• Toluene, p-(1,2,2-trimethylcyclopentyl)-, (R)-(+)-
• (+)-Cuparene
• (R)-Cuparene
• Cuparene
• Cuparene, (+)-
• (R)-(+)-p-(1,2,2-trimethylcyclopentyl)toluene

• 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.
• 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°	196.06	kJ/mol	Joback Calculated Property
ΔfH°gas	-57.25	kJ/mol	Joback Calculated Property
ΔfusH°	10.67	kJ/mol	Joback Calculated Property
ΔvapH°	49.57	kJ/mol	Joback Calculated Property
log10WS	-4.59		Crippen Calculated Property
logPoct/wat	4.463		Crippen Calculated Property
McVol	187.590	ml/mol	McGowan Calculated Property
Pc	2256.81	kPa	Joback Calculated Property
Inp	[1488.00; 1523.00]
Inp	1516.00		NIST
Inp	1515.00		NIST
Inp	1505.00		NIST
Inp	1504.00		NIST
Inp	1503.00		NIST
Inp	1502.00		NIST
Inp	1506.00		NIST
Inp	1496.00		NIST
Inp	1505.00		NIST
Inp	1511.60		NIST
Inp	1505.00		NIST
Inp	1502.00		NIST
Inp	1508.00		NIST
Inp	1504.00		NIST
Inp	1498.00		NIST
Inp	1498.00		NIST
Inp	1501.00		NIST
Inp	1509.00		NIST
Inp	1498.00		NIST
Inp	Outlier 1488.00		NIST
Inp	1502.00		NIST
Inp	1516.80		NIST
Inp	1518.00		NIST
Inp	1505.00		NIST
Inp	1502.00		NIST
Inp	1501.00		NIST
Inp	1506.00		NIST
Inp	1515.00		NIST
Inp	1507.00		NIST
Inp	1508.00		NIST
Inp	1502.00		NIST
Inp	1505.00		NIST
Inp	1498.00		NIST
Inp	1500.00		NIST
Inp	1502.00		NIST
Inp	1501.00		NIST
Inp	1512.10		NIST
Inp	1505.00		NIST
Inp	Outlier 1488.00		NIST
Inp	Outlier 1488.00		NIST
Inp	1515.00		NIST
Inp	1509.00		NIST
Inp	1504.00		NIST
Inp	1513.00		NIST
Inp	1491.00		NIST
Inp	1518.00		NIST
Inp	1520.00		NIST
Inp	1498.00		NIST
Inp	1511.00		NIST
Inp	1517.00		NIST
Inp	1499.00		NIST
Inp	1500.00		NIST
Inp	Outlier 1523.00		NIST
Inp	Outlier 1523.00		NIST
Inp	1489.00		NIST
Inp	1503.00		NIST
Inp	1510.00		NIST
Inp	1510.00		NIST
Inp	1506.00		NIST
Inp	1498.00		NIST
Inp	Outlier 1523.00		NIST
Inp	1510.00		NIST
I	[1776.00; 1849.00]
I	1838.00		NIST
I	1838.00		NIST
I	1811.00		NIST
I	1804.00		NIST
I	1819.00		NIST
I	1825.00		NIST
I	Outlier 1776.00		NIST
I	1825.00		NIST
I	1830.00		NIST
I	1838.00		NIST
I	1821.00		NIST
I	1785.00		NIST
I	1785.00		NIST
I	1803.00		NIST
I	1826.00		NIST
I	1831.00		NIST
I	1831.00		NIST
I	1822.00		NIST
I	1849.00		NIST
I	1849.00		NIST
I	1827.00		NIST
I	1849.00		NIST
I	1849.00		NIST
I	1818.00		NIST
I	1787.00		NIST
I	1825.00		NIST
I	1785.00		NIST
I	1822.00		NIST
I	1849.00		NIST
I	1838.00		NIST
Tboil	585.35	K	Joback Calculated Property
Tc	824.05	K	Joback Calculated Property
Tfus	352.21	K	Joback Calculated Property
Vc	0.704	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[480.48; 594.26]	J/mol×K	[585.35; 824.05]
Cp,gas	480.48	J/mol×K	585.35	Joback Calculated Property
Cp,gas	501.95	J/mol×K	625.13	Joback Calculated Property
Cp,gas	522.02	J/mol×K	664.92	Joback Calculated Property
Cp,gas	541.00	J/mol×K	704.70	Joback Calculated Property
Cp,gas	559.17	J/mol×K	744.48	Joback Calculated Property
Cp,gas	576.82	J/mol×K	784.27	Joback Calculated Property
Cp,gas	594.26	J/mol×K	824.05	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1-methyl-4-(1,2,2-trimethylcyclopentyl)-, (R)-.

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.