Chemical Properties of Tri-t-butylmethane (CAS 35660-96-9)

InChI

InChI=1S/C13H28/c1-11(2,3)10(12(4,5)6)13(7,8)9/h10H,1-9H3

InChI Key

LVLOQIPOJWLAEB-UHFFFAOYSA-N

Formula

C13H28

SMILES

CC(C)(C)C(C(C)(C)C)C(C)(C)C

Molecular Weight¹

184.36

CAS

35660-96-9

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase 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_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (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).
• 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
ω	0.3672		Relay (1.0) Calculated Property
ΔcH°solid	[-8873.60; -8825.00]	kJ/mol
ΔcH°solid	-8825.00 ± 4.30	kJ/mol	NIST
ΔcH°solid	-8873.60 ± 2.70	kJ/mol	NIST
ΔfG°	64.66	kJ/mol	Joback Calculated Property
ΔfH°gas	[-236.00; -235.20]	kJ/mol
ΔfH°gas	-235.20 ± 4.30	kJ/mol	NIST
ΔfH°gas	-236.00 ± 3.00	kJ/mol	NIST
ΔfH°solid	[-292.20; -244.00]	kJ/mol
ΔfH°solid	-292.20 ± 4.30	kJ/mol	NIST
ΔfH°solid	-244.00 ± 3.00	kJ/mol	NIST
ΔfusH°	3.66	kJ/mol	Joback Calculated Property
ΔsubH°	[7.70; 57.03]	kJ/mol
ΔsubH°	55.40	kJ/mol	NIST
ΔsubH°	57.03 ± 0.43	kJ/mol	NIST
ΔsubH°	57.00	kJ/mol	NIST
ΔsubH°	7.70 ± 0.08	kJ/mol	NIST
ΔsubH°	8.00	kJ/mol	NIST
ΔvapH°	49.65	kJ/mol	Relay (1.0) Calculated Property
log10WS	-5.80		Relay (1.0) Calculated Property
logPoct/wat	4.741		Crippen Calculated Property
McVol	194.030	ml/mol	McGowan Calculated Property
Pc	1734.67	kPa	Joback Calculated Property
Tboil	471.27	K	Relay (1.0) Calculated Property
Tc	657.04	K	Relay (1.0) Calculated Property
Tfus	256.16	K	Relay (1.0) Calculated Property
Vc	0.662	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Ionization energy for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,solid	354.80	J/mol×K	298.15	NIST
ΔfusH	3.53	kJ/mol	358.20	NIST
ΔsubH	[7.70; 57.70]	kJ/mol	[289.50; 312.50]
ΔsubH	57.70 ± 2.80	kJ/mol	289.50	NIST
ΔsubH	57.00 ± 0.40	kJ/mol	292.00	NIST
ΔsubH	7.70 ± 0.10	kJ/mol	312.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[276.57; 694.95]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-8.40300e+01
Coefficient B			1.62228e+00
Coefficient C			-1.20200e-03
Coefficient D			3.58700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	276.57	J/mol×K	273.00	Calculated Property
Cp,gas	355.34	J/mol×K	353.78	Calculated Property
Cp,gas	423.39	J/mol×K	434.56	Calculated Property
Cp,gas	481.86	J/mol×K	515.33	Calculated Property
Cp,gas	531.88	J/mol×K	596.11	Calculated Property
Cp,gas	574.59	J/mol×K	676.89	Calculated Property
Cp,gas	611.11	J/mol×K	757.67	Calculated Property
Cp,gas	642.59	J/mol×K	838.44	Calculated Property
Cp,gas	670.16	J/mol×K	919.22	Calculated Property
Cp,gas	694.95	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0365097; 0.0001963]	Pa×s	[228.53; 476.71]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.33481e+01
Coefficient B			2.29396e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			228.53
Temperature range, max.			476.71
η	0.0365097	Pa×s	228.53	Calculated Property
η	0.0123887	Pa×s	256.11	Calculated Property
η	0.0051867	Pa×s	283.68	Calculated Property
η	0.0025337	Pa×s	311.26	Calculated Property
η	0.0013908	Pa×s	338.83	Calculated Property
η	0.0008356	Pa×s	366.41	Calculated Property
η	0.0005391	Pa×s	393.98	Calculated Property
η	0.0003684	Pa×s	421.56	Calculated Property
η	0.0002637	Pa×s	449.13	Calculated Property
η	0.0001963	Pa×s	476.71	Calculated Property

Similar Compounds

Find more compounds similar to Tri-t-butylmethane.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.