Heptane, 4,4-dipropyl- supplier

Name
4,4-DIPROPYLHEPTANE
EINECS
CAS No. 17312-72-0
Article Data3
CAS DataBase
Density 0.755 g/cm³
Solubility
Melting Point
Formula C₁₃H₂₈
Boiling Point 222.6 °C at 760 mmHg
Molecular Weight 184.365
Flash Point 84.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4,4-Dipropylheptane;Tetrapropylmethane;
PSA 0.00000
LogP 5.17320

Heptane, 4,4-dipropyl- Specification

The CAS register number of Heptane, 4,4-dipropyl- is 17312-72-0. It also can be called as 4,4-Dipropylheptane and the IUPAC name about this chemical is 4,4-di(propan-2-yl)heptane. The molecular formula about this chemical is C₁₃H₂₈ and the molecular weight is 184.36.

Physical properties about Heptane, 4,4-dipropyl- are: (1)ACD/LogP: 6.93; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.93; (4)ACD/LogD (pH 7.4): 6.93; (5)ACD/BCF (pH 5.5): 108711.48; (6)ACD/BCF (pH 7.4): 108711.48; (7)ACD/KOC (pH 5.5): 140134.3; (8)ACD/KOC (pH 7.4): 140134.3; (9)#Freely Rotating Bonds: 6; (10)Index of Refraction: 1.423; (11)Molar Refractivity: 62.15 cm³; (12)Molar Volume: 243.9 cm³; (13)Polarizability: 24.64x10^-24cm³; (14)Surface Tension: 23.8 dyne/cm; (15)Density: 0.755 g/cm³; (16)Flash Point: 84.4 °C; (17)Enthalpy of Vaporization: 44.04 kJ/mol; (18)Boiling Point: 222.6 °C at 760 mmHg; (19)Vapour Pressure: 0.15 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: C(CC)C(CCC)(C(C)C)C(C)C
(2)InChI: InChI=1/C13H28/c1-7-9-13(10-8-2,11(3)4)12(5)6/h11-12H,7-10H2,1-6H3
(3)InChIKey: NVJRGGOSNPOOGY-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C13H28/c1-7-9-13(10-8-2,11(3)4)12(5)6/h11-12H,7-10H2,1-6H3
(5)Std. InChIKey: NVJRGGOSNPOOGY-UHFFFAOYSA-N

Product Name

4,4-DIPROPYLHEPTANE

Heptane, 4,4-dipropyl- Specification

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