Chemical Properties of Bicyclo[4.1.0]heptane, 3,7,7-trimethyl-, (1«alpha»,3«alpha»,6«alpha»)- (CAS 18968-23-5)

InChI

InChI=1S/C10H18/c1-7-4-5-8-9(6-7)10(8,2)3/h7-9H,4-6H2,1-3H3/t7-,8-,9+/m1/s1

InChI Key

BWRHOYDPVJPXMF-HLTSFMKQSA-N

Formula

C10H18

SMILES

CC1CCC2C(C1)C2(C)C

Molecular Weight¹

138.25

CAS

18968-23-5

Other Names

• Bicyclo[4.1.0]heptane, 3,7,7-trimethyl-, (1«beta»,3«beta»,6«beta»)-
• Carane, trans-
• trans-Carane

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_vap : Vapor 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[287.02; 389.91]	J/mol×K	[436.85; 642.10]
Cp,gas	287.02	J/mol×K	436.85	Joback Calculated Property
Cp,gas	307.28	J/mol×K	471.06	Joback Calculated Property
Cp,gas	326.14	J/mol×K	505.27	Joback Calculated Property
Cp,gas	343.70	J/mol×K	539.47	Joback Calculated Property
Cp,gas	360.10	J/mol×K	573.68	Joback Calculated Property
Cp,gas	375.46	J/mol×K	607.89	Joback Calculated Property
Cp,gas	389.91	J/mol×K	642.10	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[317.26; 502.40]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.19911e+01
Coefficient B			-2.88103e+03
Coefficient C			-7.10880e+01
Temperature range, min.			317.26
Temperature range, max.			502.40
Pvap	1.33	kPa	317.26	Calculated Property
Pvap	3.29	kPa	337.83	Calculated Property
Pvap	7.13	kPa	358.40	Calculated Property
Pvap	13.92	kPa	378.97	Calculated Property
Pvap	25.02	kPa	399.54	Calculated Property
Pvap	41.96	kPa	420.12	Calculated Property
Pvap	66.43	kPa	440.69	Calculated Property
Pvap	100.19	kPa	461.26	Calculated Property
Pvap	145.02	kPa	481.83	Calculated Property
Pvap	202.64	kPa	502.40	Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[4.1.0]heptane, 3,7,7-trimethyl-, (1«alpha»,3«alpha»,6«alpha»)-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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