Chemical Properties of Naphthalene, 1,2-dihydro-1,1,6-trimethyl- (CAS 30364-38-6)

InChI

InChI=1S/C13H16/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h4-7,9H,8H2,1-3H3

InChI Key

RTUMCNDCAVLXEP-UHFFFAOYSA-N

Formula

C13H16

SMILES

Cc1ccc2c(c1)C=CCC2(C)C

Molecular Weight¹

172.27

CAS

30364-38-6

Other Names

• 1,1,6-Trimethyl-1,2-dihydronaphthalene
• Dehydro-ar-ionene
• 1,2-Dihydro-1,1,6-trimethylnaphthalene
• TDN
• 1,1,6-trimethyl-1,2-dihydronaphthalene (TDN)
• 1,1,6-Trimethyl-1,2-dihydro-naphthalene (dehydro-ar-ionene)
• Naphthalene, 1,2-dihydro-1,1,6-trimethyl-, (TDN)

• 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°	224.85	kJ/mol	Joback Calculated Property
ΔfH°gas	41.60	kJ/mol	Joback Calculated Property
ΔfusH°	13.65	kJ/mol	Joback Calculated Property
ΔvapH°	47.36	kJ/mol	Joback Calculated Property
log10WS	-3.98		Crippen Calculated Property
logPoct/wat	3.690		Crippen Calculated Property
McVol	155.110	ml/mol	McGowan Calculated Property
Pc	2687.42	kPa	Joback Calculated Property
Inp	[1329.00; 1398.00]
Inp	1355.00		NIST
Inp	1349.00		NIST
Inp	1359.00		NIST
Inp	1354.00		NIST
Inp	1332.00		NIST
Inp	1331.00		NIST
Inp	1364.00		NIST
Inp	1331.00		NIST
Inp	1336.00		NIST
Inp	1344.00		NIST
Inp	1364.00		NIST
Inp	1367.00		NIST
Inp	Outlier 1398.00		NIST
Inp	1340.00		NIST
Inp	1354.00		NIST
Inp	1354.00		NIST
Inp	1333.00		NIST
Inp	1329.00		NIST
I	[1686.00; 1751.00]
I	1724.00		NIST
I	1714.00		NIST
I	1712.00		NIST
I	1722.00		NIST
I	1729.00		NIST
I	Outlier 1686.00		NIST
I	1734.00		NIST
I	1748.00		NIST
I	1734.00		NIST
I	1747.00		NIST
I	1751.00		NIST
I	1748.00		NIST
I	1722.00		NIST
I	1711.00		NIST
I	1731.00		NIST
I	1748.00		NIST
I	1732.00		NIST
I	1732.00		NIST
I	1751.00		NIST
Tboil	543.89	K	Joback Calculated Property
Tc	777.24	K	Joback Calculated Property
Tfus	326.81	K	Joback Calculated Property
Vc	0.589	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[361.55; 451.14]	J/mol×K	[543.89; 777.24]
Cp,gas	361.55	J/mol×K	543.89	Joback Calculated Property
Cp,gas	379.05	J/mol×K	582.78	Joback Calculated Property
Cp,gas	395.29	J/mol×K	621.67	Joback Calculated Property
Cp,gas	410.45	J/mol×K	660.56	Joback Calculated Property
Cp,gas	424.69	J/mol×K	699.45	Joback Calculated Property
Cp,gas	438.20	J/mol×K	738.35	Joback Calculated Property
Cp,gas	451.14	J/mol×K	777.24	Joback Calculated Property

Similar Compounds

Find more compounds similar to Naphthalene, 1,2-dihydro-1,1,6-trimethyl-.

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.