Chemical Properties of Heptane, 2-methyl- (CAS 592-27-8)

InChI

InChI=1S/C8H18/c1-4-5-6-7-8(2)3/h8H,4-7H2,1-3H3

InChI Key

JVSWJIKNEAIKJW-UHFFFAOYSA-N

Formula

C8H18

SMILES

CCCCCC(C)C

Molecular Weight¹

114.23

CAS

592-27-8

Other Names

• (CH3)2CH(CH2)4CH3
• 2-METHYLHEPTANE
• METHYLHEPTANE

• ω : Acentric Factor.
• AP : Aniline Point (K).
• 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_c,grossH : Heat of Combustion, Gross form (kJ/mol).
• Δ_c,netH : Heat of Combustion, Net Form (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).
• IE : Ionization energy (eV).
• 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).
• P_vap : Vapor pressure (kPa).
• n₀ : Refractive Index.
• ρ_c : Critical density (kg/m³).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• 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).
• γ : Surface Tension (N/m).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• λ : Liquid thermal conductivity (W/m×K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• V_m : Molar Volume (m³/mol).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Contents

1. Physical Properties
2. Temperature Dependent Properties
3. Pressure Dependent Properties
4. Datasets
5. Correlations
6. Similar Compounds
7. Mixtures
8. Sources

Physical Properties

Property	Value	Unit	Source
ω	0.3780		KDB
AP	347.150	K	KDB
ΔcH°liquid	[-5465.50; -5274.60]	kJ/mol
ΔcH°liquid	-5465.50 ± 1.20	kJ/mol	NIST
ΔcH°liquid	-5447.10	kJ/mol	NIST
ΔcH°liquid	-5274.60	kJ/mol	NIST
ΔfG°	12.77	kJ/mol	KDB
Δc,grossH	5465.48	kJ/mol	KDB
Δc,netH	5069.335	kJ/mol	KDB
ΔfH°gas	[-215.60; -215.50]	kJ/mol
ΔfH°gas	-215.60	kJ/mol	KDB
ΔfH°gas	-215.50 ± 1.30	kJ/mol	NIST
ΔfH°liquid	-255.20 ± 1.30	kJ/mol	NIST
ΔfusH°	12.95	kJ/mol	Joback Calculated Property
ΔvapH°	[33.00; 39.80]	kJ/mol
ΔvapH°	39.72	kJ/mol	NIST
ΔvapH°	39.70 ± 0.10	kJ/mol	NIST
ΔvapH°	39.70	kJ/mol	NIST
ΔvapH°	39.80 ± 0.10	kJ/mol	NIST
ΔvapH°	39.67	kJ/mol	NIST
ΔvapH°	Outlier 33.00	kJ/mol	NIST
IE	[9.74; 9.84]	eV
IE	9.84 ± 0.10	eV	NIST
IE	9.76	eV	NIST
IE	9.84 ± 0.10	eV	NIST
IE	9.74 ± 0.15	eV	NIST
log10WS	[-5.08; -5.08]
log10WS	-5.08		Aq. Sol...
log10WS	-5.08		Estimat...
logPoct/wat	3.223		Crippen Calculated Property
McVol	123.580	ml/mol	McGowan Calculated Property
Pc	[2484.20; 2500.00]	kPa
Pc	2500.00	kPa	KDB
Pc	2500.00 ± 20.00	kPa	NIST
Pc	2500.00 ± 40.00	kPa	NIST
Pc	2484.20 ± 40.53	kPa	NIST
ρc	[234.17; 234.17]	kg/m3
ρc	234.17 ± 2.28	kg/m3	NIST
ρc	234.17 ± 4.57	kg/m3	NIST
Inp	[754.00; 778.00]
Inp	765.50		NIST
Inp	765.80		NIST
Inp	765.00		NIST
Inp	766.00		NIST
Inp	766.30		NIST
Inp	765.00		NIST
Inp	767.00		NIST
Inp	765.00		NIST
Inp	765.00		NIST
Inp	765.00		NIST
Inp	764.70		NIST
Inp	765.60		NIST
Inp	766.00		NIST
Inp	766.20		NIST
Inp	766.30		NIST
Inp	766.30		NIST
Inp	765.00		NIST
Inp	765.00		NIST
Inp	765.00		NIST
Inp	765.00		NIST
Inp	765.00		NIST
Inp	765.00		NIST
Inp	766.50		NIST
Inp	766.40		NIST
Inp	766.00		NIST
Inp	766.00		NIST
Inp	766.00		NIST
Inp	766.00		NIST
Inp	Outlier 754.00		NIST
Inp	764.00		NIST
Inp	765.00		NIST
Inp	766.00		NIST
Inp	765.20		NIST
Inp	764.90		NIST
Inp	765.00		NIST
Inp	764.60		NIST
Inp	764.60		NIST
Inp	765.00		NIST
Inp	765.00		NIST
Inp	765.00		NIST
Inp	765.00		NIST
Inp	Outlier 772.52		NIST
Inp	766.00		NIST
Inp	766.00		NIST
Inp	763.00		NIST
Inp	763.00		NIST
Inp	763.00		NIST
Inp	763.00		NIST
Inp	763.00		NIST
Inp	764.80		NIST
Inp	767.00		NIST
Inp	765.00		NIST
Inp	765.10		NIST
Inp	764.00		NIST
Inp	764.00		NIST
Inp	765.00		NIST
Inp	765.00		NIST
Inp	764.00		NIST
Inp	765.00		NIST
Inp	765.00		NIST
Inp	765.00		NIST
Inp	764.50		NIST
Inp	765.00		NIST
Inp	765.00		NIST
Inp	765.00		NIST
Inp	766.00		NIST
Inp	765.00		NIST
Inp	765.00		NIST
Inp	764.00		NIST
Inp	765.00		NIST
Inp	765.00		NIST
Inp	765.00		NIST
Inp	766.00		NIST
Inp	765.00		NIST
Inp	763.00		NIST
Inp	761.00		NIST
Inp	760.00		NIST
Inp	764.10		NIST
Inp	769.00		NIST
Inp	765.00		NIST
Inp	Outlier 778.00		NIST
Inp	766.90		NIST
Inp	761.38		NIST
Inp	761.79		NIST
Inp	762.50		NIST
Inp	764.10		NIST
Inp	761.00		NIST
Inp	761.10		NIST
Inp	762.25		NIST
Inp	762.36		NIST
Inp	763.00		NIST
Inp	763.03		NIST
Inp	763.50		NIST
Inp	763.00		NIST
Inp	765.90		NIST
Inp	765.50		NIST
Inp	765.50		NIST
Inp	766.78		NIST
Inp	766.99		NIST
Inp	767.12		NIST
Inp	765.99		NIST
Inp	766.21		NIST
Inp	766.26		NIST
Inp	761.00		NIST
Inp	760.00		NIST
Inp	Outlier 776.21		NIST
Inp	764.00		NIST
Inp	766.00		NIST
Inp	765.00		NIST
Inp	766.00		NIST
Inp	766.00		NIST
Inp	766.00		NIST
Inp	765.00		NIST
Inp	Outlier 756.00		NIST
Inp	767.00		NIST
Inp	763.00		NIST
Inp	767.00		NIST
Inp	764.30		NIST
Inp	765.00		NIST
Inp	766.00		NIST
Inp	Outlier 775.00		NIST
Inp	767.00		NIST
Inp	760.00		NIST
Inp	759.00		NIST
Inp	765.00		NIST
Inp	765.00		NIST
Inp	768.00		NIST
Inp	765.00		NIST
Inp	765.00		NIST
Inp	Outlier 758.54		NIST
Inp	764.00		NIST
Inp	766.00		NIST
Inp	763.00		NIST
Inp	766.00		NIST
Inp	766.00		NIST
Inp	765.00		NIST
Inp	766.00		NIST
Inp	766.00		NIST
Inp	766.00		NIST
Inp	762.00		NIST
Inp	761.00		NIST
Inp	766.00		NIST
Inp	Outlier 775.00		NIST
Inp	Outlier 772.00		NIST
Inp	770.00		NIST
Inp	Outlier 772.00		NIST
Inp	760.00		NIST
Inp	766.00		NIST
Inp	765.00		NIST
Inp	764.10		NIST
Inp	759.00		NIST
Inp	Outlier 772.00		NIST
I	[750.00; 764.00]
I	750.00		NIST
I	764.00		NIST
I	764.00		NIST
S°gas	459.49 ± 0.88	J/mol×K	NIST
S°liquid	356.39	J/mol×K	NIST
Tboil	[389.15; 391.60]	K
Tboil	390.81	K	KDB
Tboil	390.80	K	NIST
Tboil	390.80	K	NIST
Tboil	391.00 ± 3.00	K	NIST
Tboil	390.00 ± 3.00	K	NIST
Tboil	391.00 ± 2.00	K	NIST
Tboil	390.80 ± 0.20	K	NIST
Tboil	Outlier 391.60 ± 2.00	K	NIST
Tboil	390.79 ± 0.10	K	NIST
Tboil	390.40 ± 0.30	K	NIST
Tboil	390.85 ± 0.20	K	NIST
Tboil	390.78 ± 0.20	K	NIST
Tboil	390.55 ± 0.50	K	NIST
Tboil	390.85 ± 0.30	K	NIST
Tboil	391.00 ± 0.30	K	NIST
Tboil	390.86 ± 0.20	K	NIST
Tboil	390.90 ± 0.15	K	NIST
Tboil	390.90 ± 0.20	K	NIST
Tboil	390.79 ± 0.01	K	NIST
Tboil	390.90 ± 0.20	K	NIST
Tboil	390.85 ± 0.20	K	NIST
Tboil	390.75 ± 0.50	K	NIST
Tboil	390.15 ± 1.00	K	NIST
Tboil	390.15 ± 1.50	K	NIST
Tboil	390.00 ± 3.00	K	NIST
Tboil	390.85 ± 0.10	K	NIST
Tboil	390.80 ± 0.30	K	NIST
Tboil	390.79 ± 0.10	K	NIST
Tboil	391.15 ± 0.30	K	NIST
Tboil	391.25 ± 0.30	K	NIST
Tboil	389.85 ± 0.50	K	NIST
Tboil	Outlier 389.75 ± 0.60	K	NIST
Tboil	390.35 ± 0.60	K	NIST
Tboil	390.35 ± 0.50	K	NIST
Tboil	391.00 ± 1.00	K	NIST
Tboil	390.65 ± 1.50	K	NIST
Tboil	Outlier 389.15 ± 0.30	K	NIST
Tboil	390.90 ± 1.00	K	NIST
Tboil	391.15 ± 1.00	K	NIST
Tc	[559.56; 559.70]	K
Tc	559.70	K	KDB
Tc	559.70 ± 0.10	K	NIST
Tc	559.70 ± 0.20	K	NIST
Tc	559.60	K	NIST
Tc	559.56 ± 0.40	K	NIST
Tc	559.57 ± 0.20	K	NIST
Tfus	[160.00; 165.52]	K
Tfus	164.16	K	KDB
Tfus	165.52	K	Aq. Sol...
Tfus	163.59 ± 0.20	K	NIST
Tfus	163.59 ± 0.30	K	NIST
Tfus	163.52 ± 0.20	K	NIST
Tfus	163.52 ± 0.30	K	NIST
Tfus	163.90 ± 0.02	K	NIST
Tfus	164.02 ± 0.09	K	NIST
Tfus	164.03 ± 0.06	K	NIST
Tfus	164.11 ± 0.05	K	NIST
Tfus	163.32 ± 0.15	K	NIST
Tfus	163.55 ± 0.50	K	NIST
Tfus	163.65 ± 0.10	K	NIST
Tfus	Outlier 160.00 ± 0.30	K	NIST
Tfus	162.15 ± 2.00	K	NIST
Tfus	161.85 ± 1.50	K	NIST
Ttriple	[154.87; 164.19]	K
Ttriple	164.18 ± 0.04	K	NIST
Ttriple	164.19 ± 0.01	K	NIST
Ttriple	163.15 ± 0.02	K	NIST
Ttriple	164.14 ± 0.02	K	NIST
Ttriple	164.14 ± 0.02	K	NIST
Ttriple	164.14 ± 0.40	K	NIST
Ttriple	154.91 ± 0.02	K	NIST
Ttriple	154.87 ± 0.04	K	NIST
Ttriple	154.91 ± 0.03	K	NIST
Ttriple	154.87 ± 0.05	K	NIST
Vc	[0.488; 0.488]	m3/kmol
Vc	0.488	m3/kmol	KDB
Vc	0.488	m3/kmol	NIST
Zc	0.2621610		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[186.13; 265.52]	J/mol×K	[298.15; 448.15]
T(K) Ideal gas heat capacity (J/mol×K) 180 200 220 240 260 300 350 400 450
Cp,gas	186.13	J/mol×K	298.15	NIST
Cp,gas	202.07	J/mol×K	323.15	NIST
Cp,gas	230.06	J/mol×K	373.15	NIST
Cp,gas	248.37	J/mol×K	408.15	NIST
Cp,gas	265.52	J/mol×K	448.15	NIST
Cp,liquid	[251.58; 252.00]	J/mol×K	[298.15; 298.15]
Cp,liquid	252.00	J/mol×K	298.15	NIST
Cp,liquid	251.58	J/mol×K	298.15	NIST
η	[0.0002373; 0.0105616]	Pa×s	[164.92; 382.00]
T(K) Dynamic viscosity (Pa×s) 0 2.00e-3 4.00e-3 6.00e-3 8.00e-3 0.01 200 250 300 350
η	0.0105616	Pa×s	164.92	Joback Calculated Property
η	0.0031758	Pa×s	201.10	Joback Calculated Property
η	0.0013776	Pa×s	237.28	Joback Calculated Property
η	0.0007454	Pa×s	273.46	Joback Calculated Property
η	0.0004656	Pa×s	309.64	Joback Calculated Property
η	0.0003209	Pa×s	345.82	Joback Calculated Property
η	0.0002373	Pa×s	382.00	Joback Calculated Property
ΔfusH	[11.92; 11.92]	kJ/mol	[64.19; 164.20]
ΔfusH	11.92	kJ/mol	64.19	NIST
ΔfusH	11.92	kJ/mol	164.20	NIST
ΔfusH	11.92	kJ/mol	164.20	NIST
ΔvapH	[33.26; 41.60]	kJ/mol	[258.00; 390.80]
T(K) Enthalpy of vaporization at a given temperature (kJ/mol) 34 36 38 40 42 300 350
ΔvapH	41.60	kJ/mol	258.00	NIST
ΔvapH	38.70 ± 0.10	kJ/mol	313.00	NIST
ΔvapH	37.30 ± 0.10	kJ/mol	333.00	NIST
ΔvapH	39.80	kJ/mol	338.50	NIST
ΔvapH	36.00 ± 0.10	kJ/mol	353.00	NIST
ΔvapH	38.10	kJ/mol	353.00	NIST
ΔvapH	33.81	kJ/mol	390.80	KDB
ΔvapH	33.26	kJ/mol	390.80	NIST
n0	1.39257		298.15	KDB
ρl	702.00	kg/m3	289.00	KDB
ΔfusS	72.60	J/mol×K	64.19	NIST
γ	0.02	N/m	298.20	KDB
λ	[0.11; 0.12]	W/m×K	[259.12; 328.23]
T(K) Liquid thermal conductivity (W/m×K) 0.11 0.11 0.12 0.12 0.13 260 280 300 320
λ	0.12	W/m×K	259.12	Thermal...
λ	0.12	W/m×K	259.33	Thermal...
λ	0.12	W/m×K	259.51	Thermal...
λ	0.12	W/m×K	277.53	Thermal...
λ	0.12	W/m×K	277.77	Thermal...
λ	0.12	W/m×K	277.96	Thermal...
λ	0.11	W/m×K	295.72	Thermal...
λ	0.11	W/m×K	295.95	Thermal...
λ	0.11	W/m×K	296.16	Thermal...
λ	0.11	W/m×K	313.83	Thermal...
λ	0.11	W/m×K	314.07	Thermal...
λ	0.11	W/m×K	314.30	Thermal...
λ	0.11	W/m×K	327.74	Thermal...
λ	0.11	W/m×K	328.00	Thermal...
λ	0.11	W/m×K	328.23	Thermal...
Vm	[1.63e-04; 1.64e-04]	m3/mol	[288.05; 298.15]
Vm	1.63e-04	m3/mol	288.05	Thermod...
Vm	1.64e-04	m3/mol	298.15	Thermod...

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	389.20	K	101.00	NIST

Datasets

1. Molar heat capacity at constant pressure, J/K/mol (1)
2. Mass density, kg/m3 (1)

Molar heat capacity at constant pressure, J/K/mol

Fixed		Measured
Temperature, K - Liquid	Pressure, kPa - Liquid	Molar heat capacity at constant pressure, J/K/mol - Liquid
293.15	100.00	236.20
293.15	5000.00	233.80
293.15	10000.00	231.70
293.15	15000.00	229.10
293.15	20000.00	228.00
293.15	25000.00	224.80
313.15	100.00	249.60
313.15	5000.00	246.80
313.15	10000.00	245.10
313.15	15000.00	243.20
313.15	20000.00	240.80
313.15	25000.00	235.10
Reference

Mass density, kg/m3

Fixed		Measured
Temperature, K - Liquid	Pressure, kPa - Liquid	Mass density, kg/m3 - Liquid
298.15	100.00	693.9
Reference

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[284.25; 417.28]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.43957e+01
Coefficient B			-3.39364e+03
Coefficient C			-4.37100e+01
Temperature range, min.			284.25
Temperature range, max.			417.28
T(K) Vapor pressure (kPa) 0 50 100 150 200 300 350 400
Pvap	1.33	kPa	284.25	Calculated Property
Pvap	3.02	kPa	299.03	Calculated Property
Pvap	6.24	kPa	313.81	Calculated Property
Pvap	11.98	kPa	328.59	Calculated Property
Pvap	21.56	kPa	343.37	Calculated Property
Pvap	36.72	kPa	358.16	Calculated Property
Pvap	59.61	kPa	372.94	Calculated Property
Pvap	92.83	kPa	387.72	Calculated Property
Pvap	139.37	kPa	402.50	Calculated Property
Pvap	202.63	kPa	417.28	Calculated Property
Pvap	[1.04e-06; 2474.20]	kPa	[164.16; 559.64]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			8.36210e+01
Coefficient B			-7.47230e+03
Coefficient C			-1.02064e+01
Coefficient D			6.78071e-06
Temperature range, min.			164.16
Temperature range, max.			559.64
T(K) Vapor pressure (kPa) 0 500 1000 1500 2000 2500 200 300 400 500
Pvap	1.04e-06	kPa	164.16	Calculated Property
Pvap	1.54e-03	kPa	208.10	Calculated Property
Pvap	0.13	kPa	252.04	Calculated Property
Pvap	2.44	kPa	295.99	Calculated Property
Pvap	18.77	kPa	339.93	Calculated Property
Pvap	83.36	kPa	383.87	Calculated Property
Pvap	259.37	kPa	427.81	Calculated Property
Pvap	636.04	kPa	471.76	Calculated Property
Pvap	1326.32	kPa	515.70	Calculated Property
Pvap	2474.20	kPa	559.64	Calculated Property

Similar Compounds

Find more compounds similar to Heptane, 2-methyl-.

Mixtures

• Heptane, 2-methyl- + Hexane, tetradecafluoro-
• Heptane, 2-methyl- + 1-Butanol
• Heptane, 2-methyl- + Methyl Alcohol

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Liquid liquid equilibria of imidazolium based ionic liquid + pyridine + hydrocarbon at 298.15 K: Experiments and correlations
• Thermodynamic study of (perfluoroalkane + alkane) mixtures: Excess and solvation enthalpies
• Thermodynamic characterization of the mixture (1-butanol + iso-octane): Densities, viscosities, and isobaric heat capacities at high pressures
• Conformational analysis of branched alkanes using limiting partial molar volumes
• Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.