Chemical Properties of Heptane, 1,1-dimethoxy- (CAS 10032-05-0)

InChI

InChI=1S/C9H20O2/c1-4-5-6-7-8-9(10-2)11-3/h9H,4-8H2,1-3H3

InChI Key

BBMCNYFBAIUERL-UHFFFAOYSA-N

Formula

C9H20O2

SMILES

CCCCCCC(OC)OC

Molecular Weight¹

160.25

CAS

10032-05-0

Other Names

• Heptanal, dimethyl acetal
• 1,1-Dimethoxyheptane
• n-Heptanal dimethyl acetal

• ω : Acentric Factor.
• C_p,gas : Ideal gas 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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (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).
• I_np : Non-polar retention indices.
• I_p : 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
ω	0.4901		Relay (1.0) Calculated Property
ΔfG°	-187.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-489.91	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.92	kJ/mol	Joback Calculated Property
ΔvapH°	51.65	kJ/mol	Relay (1.0) Calculated Property
IE	9.40	eV	Relay (1.0) Calculated Property
log10WS	-2.39		Relay (1.0) Calculated Property
logPoct/wat	2.576		Crippen Calculated Property
McVol	149.410	ml/mol	McGowan Calculated Property
Pc	2250.40	kPa	Joback Calculated Property
Inp	[1063.00; 1080.00]
Inp	1080.00		NIST
Inp	1069.00		NIST
Inp	1063.00		NIST
Inp	1080.00		NIST
Ip	[1261.00; 1265.00]
Ip	1265.00		NIST
Ip	1261.00		NIST
Tboil	447.16	K	Relay (1.0) Calculated Property
Tc	615.18	K	Relay (1.0) Calculated Property
Tfus	203.18	K	Relay (1.0) Calculated Property
Vc	0.573	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[226.90; 521.19]	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			4.40250e+01
Coefficient B			7.38360e-01
Coefficient C			-2.47000e-04
Coefficient D			-1.42000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	226.90	J/mol×K	273.00	Calculated Property
Cp,gas	273.70	J/mol×K	353.78	Calculated Property
Cp,gas	317.08	J/mol×K	434.56	Calculated Property
Cp,gas	356.99	J/mol×K	515.33	Calculated Property
Cp,gas	393.39	J/mol×K	596.11	Calculated Property
Cp,gas	426.24	J/mol×K	676.89	Calculated Property
Cp,gas	455.49	J/mol×K	757.67	Calculated Property
Cp,gas	481.09	J/mol×K	838.44	Calculated Property
Cp,gas	503.01	J/mol×K	919.22	Calculated Property
Cp,gas	521.18	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0048122; 0.0001979]	Pa×s	[220.65; 431.80]	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			-1.18622e+01
Coefficient B			1.43988e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			220.65
Temperature range, max.			431.80
η	0.0048122	Pa×s	220.65	Calculated Property
η	0.0025702	Pa×s	244.11	Calculated Property
η	0.0015323	Pa×s	267.57	Calculated Property
η	0.0009930	Pa×s	291.03	Calculated Property
η	0.0006865	Pa×s	314.50	Calculated Property
η	0.0004996	Pa×s	337.96	Calculated Property
η	0.0003789	Pa×s	361.42	Calculated Property
η	0.0002972	Pa×s	384.88	Calculated Property
η	0.0002397	Pa×s	408.34	Calculated Property
η	0.0001979	Pa×s	431.80	Calculated Property

Similar Compounds

Find more compounds similar to Heptane, 1,1-dimethoxy-.

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.