Chemical Properties of Pentane, 3,3-dimethyl- (CAS 562-49-2)

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InChI

InChI=1S/C7H16/c1-5-7(3,4)6-2/h5-6H2,1-4H3

InChI Key

AEXMKKGTQYQZCS-UHFFFAOYSA-N

Formula

C7H16

SMILES

CCC(C)(C)CC

Molecular Weight¹

100.20

CAS

562-49-2

Other Names

• (C2H5)2C(CH3)2
• 3,3-Dimethylpentane

Sources

• Joback Method
• NIST Webbook
• Crippen Method

• Δ_cH°_liquid: Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas: Ideal gas heat capacity (J/mol×K).
• C_p,liquid: Liquid 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°_liquid: Liquid 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_vapH°: Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH: Enthalpy of vaporization at a given temperature (kJ/mol).
• logP_oct/wat: Octanol/Water partition coefficient.
• P_c: Critical Pressure (kPa).
• Δ_fusS: Entropy of fusion at a given temperature (J/mol×K).
• S°_gas: Molar entropy at standard conditions (J/mol×K).
• S°_liquid: Liquid phase molar entropy at standard conditions (J/mol×K).
• T_boil: Normal Boiling Point Temperature (K).
• T_c: Critical Temperature (K).
• T_fus: Normal melting (fusion) point (K).
• T_triple: Triple Point Temperature (K).
• V_c: Critical Volume (m³/kg-mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°liquid	-4806.70 ± 0.79	kJ/mol	NIST
ΔcH°liquid	-4802.00 ± 1.00	kJ/mol	NIST
ΔfG°	10.90	kJ/mol	Joback Calculated Property
ΔfH°gas	-201.50 ± 0.92	kJ/mol	NIST
ΔfH°gas	-205.90	kJ/mol	NIST
ΔfH°liquid	-234.60 ± 0.92	kJ/mol	NIST
ΔfH°liquid	-239.00 ± 1.00	kJ/mol	NIST
ΔfusH°	6.47	kJ/mol	Joback Calculated Property
ΔvapH°	[33.00; 33.15]	kJ/mol
ΔvapH°	33.15	kJ/mol	NIST
ΔvapH°	33.00 ± 0.10	kJ/mol	NIST
ΔvapH°	33.00	kJ/mol	NIST
ΔvapH°	33.00 ± 0.10	kJ/mol	NIST
ΔvapH°	33.02	kJ/mol	NIST
logPoct/wat	2.833		Crippen Calculated Property
Pc	2950.00 ± 50.00	kPa	NIST
Pc	2945.80 ± 40.53	kPa	NIST
S°gas	398.02	J/mol×K	NIST
S°liquid	305.60	J/mol×K	NIST
S°liquid	293.30	J/mol×K	NIST
Tboil	[358.95; 363.15]	K
Tboil	359.30	K	NIST
Tboil	359.20	K	NIST
Tboil	359.15 ± 0.40	K	NIST
Tboil	359.21 ± 0.20	K	NIST
Tboil	359.22 ± 0.20	K	NIST
Tboil	359.20 ± 0.20	K	NIST
Tboil	359.20 ± 0.20	K	NIST
Tboil	359.20 ± 0.30	K	NIST
Tboil	359.20 ± 0.20	K	NIST
Tboil	359.21 ± 0.10	K	NIST
Tboil	359.25 ± 0.50	K	NIST
Tboil	358.95 ± 0.40	K	NIST
Tboil	359.25 ± 0.30	K	NIST
Tboil	359.20 ± 0.20	K	NIST
Tboil	359.25 ± 0.30	K	NIST
Tboil	359.21 ± 0.01	K	NIST
Tboil	359.24 ± 0.20	K	NIST
Tboil	359.25 ± 0.30	K	NIST
Tboil	359.25 ± 0.30	K	NIST
Tboil	Outlier 363.05 ± 0.50	K	NIST
Tboil	Outlier 363.15 ± 0.50	K	NIST
Tboil	359.23 ± 0.30	K	NIST
Tboil	359.21 ± 0.06	K	NIST
Tboil	359.00 ± 0.30	K	NIST
Tboil	359.12 ± 0.10	K	NIST
Tboil	359.00 ± 0.50	K	NIST
Tboil	359.25 ± 0.50	K	NIST
Tboil	359.25 ± 0.20	K	NIST
Tboil	359.25 ± 0.30	K	NIST
Tboil	359.15 ± 0.50	K	NIST
Tboil	359.25 ± 0.20	K	NIST
Tboil	359.25 ± 0.30	K	NIST
Tboil	359.10 ± 0.50	K	NIST
Tboil	359.15 ± 0.50	K	NIST
Tboil	359.15 ± 0.50	K	NIST
Tboil	359.40 ± 0.60	K	NIST
Tboil	359.70 ± 2.00	K	NIST
Tboil	360.00 ± 3.00	K	NIST
Tc	536.40 ± 0.50	K	NIST
Tc	536.30	K	NIST
Tc	536.34 ± 0.40	K	NIST
Tfus	[137.24; 138.71]	K
Tfus	138.34 ± 0.30	K	NIST
Tfus	137.54 ± 0.50	K	NIST
Tfus	138.70 ± 0.05	K	NIST
Tfus	138.70 ± 0.05	K	NIST
Tfus	138.71 ± 0.05	K	NIST
Tfus	138.17 ± 0.30	K	NIST
Tfus	138.17 ± 0.20	K	NIST
Tfus	137.60 ± 0.40	K	NIST
Tfus	138.16 ± 0.01	K	NIST
Tfus	138.64 ± 0.06	K	NIST
Tfus	138.64 ± 0.05	K	NIST
Tfus	138.69 ± 0.04	K	NIST
Tfus	138.20 ± 0.05	K	NIST
Tfus	137.59 ± 0.05	K	NIST
Tfus	138.12 ± 0.50	K	NIST
Tfus	137.50 ± 0.30	K	NIST
Tfus	137.55 ± 0.70	K	NIST
Tfus	137.24 ± 0.40	K	NIST
Tfus	137.41 ± 0.20	K	NIST
Tfus	137.45 ± 0.30	K	NIST
Tfus	137.45 ± 0.50	K	NIST
Tfus	138.15 ± 0.50	K	NIST
Tfus	138.25 ± 0.50	K	NIST
Tfus	138.15 ± 0.50	K	NIST
Tfus	138.15 ± 0.30	K	NIST
Ttriple	138.75 ± 0.10	K	NIST
Ttriple	138.20 ± 0.03	K	NIST
Ttriple	138.20 ± 0.20	K	NIST
Vc	0.414	m3/kg-mol	NIST

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[187.44; 250.70]	J/mol×K	[344.13; 487.21]
Cp,gas	187.44 ± 0.37	J/mol×K	344.13	NIST
Cp,gas	197.68 ± 0.40	J/mol×K	366.22	NIST
Cp,gas	214.51 ± 0.43	J/mol×K	402.31	NIST
Cp,gas	235.08 ± 0.47	J/mol×K	449.3	NIST
Cp,gas	250.70 ± 0.50	J/mol×K	487.21	NIST
Cp,liquid	211.70	J/mol×K	292.9	NIST
Cp,liquid	214.80	J/mol×K	298.15	NIST
η	0.0002840	Pa×s	356.33	Joback Calculated Property
ΔfusH	7.07	kJ/mol	138.2	NIST
ΔfusH	7.07	kJ/mol	138.2	NIST
ΔfusH	7.07	kJ/mol	138.2	NIST
ΔvapH	[29.62; 34.80]	kJ/mol	[247.00; 359.20]
ΔvapH	34.80	kJ/mol	247.0	NIST
ΔvapH	33.60	kJ/mol	320.0	NIST
ΔvapH	33.30	kJ/mol	322.5	NIST
ΔvapH	33.20	kJ/mol	323.5	NIST
ΔvapH	29.62	kJ/mol	359.2	NIST
ΔfusS	51.14	J/mol×K	138.2	NIST

Molecular Descriptors

Joback and Reid Groups
-CH2-	2
-CH3	4
>C<	1

Similar Compounds

Find more compounds similar to Pentane, 3,3-dimethyl-.

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